Two Dimensional Coherent Double Resonance Electronic Spectroscopy Ohio State University Molecular...
-
Upload
audrey-fowler -
Category
Documents
-
view
226 -
download
5
Transcript of Two Dimensional Coherent Double Resonance Electronic Spectroscopy Ohio State University Molecular...
-
Two Dimensional Coherent Double Resonance Electronic Spectroscopy
Ohio State University Molecular Spectroscopy ConferenceJune 20, 2008
Peter C. Chen Department of ChemistrySpelman CollegeAtlanta GA 30314
-
Rotational congestionA common challenges when interpreting high resolution molecular spectraMore difficulty with increasing size of the moleculeMore difficult to resolve peaksMore difficult to interpret the spectraIncreased chance of perturbations (e.g., conical intersections)Increased chance of mixtures (e.g., isotopomeric or conformational mixtures)
-
High Resolution Coherent Two Dimensional SpectroscopyOn-diagonal peaks: Similar to 1D spectroscopyOff-diagonal peaks: Provides new information: coupled transitions leads to coupled Fortrat parabola clusters.Benefits: not only improved spectral resolution but also peaks sorting (by rotational and vibrational quantum numbers, selection rules, isotopomer, etc.) IorAn or ln4n12D Contour Plot (data is a 3D surface)ConventionalSpectrum(data is in 2D)1 2 3 4Four wave mixing2 3 1 4CDRESRECARSCoupled transitions
-
Sample: C2a3Pu d3Pg
Reference: P.C. Chen and C.C. Joyner, Analytical Chemistry 77, 5467-5473, 2005 simulationCoupled Fortrat Parabola!experimentRECARS
-
Sample: I2 B3Pu X1Sg transition550 nm564 nm550 nm564 nm570576Conventional 1D absorption spectrum:Coherent 2D spectrum:Peaks appear more organized: separated and sorted by.Typical rotational congestion: peaks from different vibrational transitions are overlappedCDRES
-
550 nmv4=23 v4=22 v4=21 v4=20v4=23 v4=22 v4=21 v4=20570 nm576.47 nm559.64 nml1 (nm)l4 (nm)Sample: Iodine vaporv1=16v1=15Reference: P. C. Chen and C. C. Joyner, JPC A 110, 7989-7993, 2006.Peaks are sorted by vibrational quantum numberv1 = 0 tov4 = 0 tov4 = 0 to1 2 3 4CDRES
-
and sorted by rotational quantum number550564550564570576Green arrows indicate J=87 (J=86 and 88) for the v=0, v= 23 parabola. (DJ=+1 different location from DJ=-1).PEAKS SORTED BY ROTATIONAL QUANTUM NUMBER AND SELECTION RULE.By comparison, peaks appear disordered in conventional (1D) spectra.simulation:J=1 to 90V=0V4=19 to 23V1=15 to 16l1l4 l J=0023022(peaks sorted by vibrational quant. #)ExperimentalSimulatedv4 =
-
Instrument: 1.25 meter monochromator w/ CCDPixel spacing: ~0.01nm or 0.4 cm-1CDRES spectrum of Br2 (g)B3Pu+ X1Sg+l (nm)Absorbance513 nm514 nm508 nm528 nmPeak markers: red=79Br2, blue=81Br2, green=79,81Br2; J=1-198; v=0-50Peak density: approximately 1000 peaks per nmSpectral resolution needed: sub-picometer (Doppler broadening ~0.4 pm).
-
81Br279,81Br279Br2Br2 peaks separated and sorted by isotopomerNote: Experimental results show some effects from lower lying parabolas, (v3>25)l4 (nm)l1 (nm)v4=26v4=27v4=28v4=29v3=25Reference: P. C. Chen and M. Gomes, JPC A 112, 2999-3001, 2008.
-
SummaryHigh resolution coherent 2D techniques like CDRES canImproves spectral resolutionSorts peaks by vibrational and rotation quantum numbersSorts peaks by selection ruleSorts peaks by isotopomer
Capabilities demonstrated using C2, I2, and Br2 (diatomics with well-characterized spectra). What about something trying something more complicated (e.g., not well-characterized)?
-
Conventional spectrum of NO2an important photochemical pollutantBroad (absorbs from IR to UV)Lacks regular patterns
Visible absorption spectrum first observed:D. Brewster, Trans. R. Soc. 12, 519, 1834
-
NO2s notoriously difficult spectrumJet spectra1,2 show unusually high density of irregularly spaced vibronic levels. (~350 vibrational origins observed to be distributed chaotically over the range 516.5-625 nm. Average spacing: 10 cm-1).Low-lying conical intersection (at ~10,000 cm-1) causes strong vibronic mixing (hybrid states) with spacings that appear chaotic.Rotational spacings are also irregular.Result: severe rotational congestion; very few regions assigned.
1. R.E. Smalley, L. Wharton, and D.H. Levy, JCP 63, 4977, 1975.2. R. Georges, A. Delon, and R. Jost, JCP 103, 1732, 1995.
-
Conventional spectrum of NO2an important photochemical pollutantBroad (absorbs from IR to UV)Lacks regular patterns
l1l4
-
Observation: Lots of Xs, arranged in an irregular pattern561 nm579nm600 nm
590 nml1l4CDRES spectrum of NO2
-
SimulationThis simulation shows the expected location of the most intense coupled vibronic transitions. Values used in the simulation are based upon previously measured vibrational origins.Coherent 2D spectrum of NO2
Therefore, the Xs in the 2D spectrum mark the locations of vibronic origins
-
1 2 3 4R,RP,PR,PP,RNN = N + 1N = N + 1l4l1Note: the N=0 peak is found in the center. N increases systematically with increasing distance from the center.(for the K=0 stack of NO2, N=0, 2, 4, 6, etc.)X-shaped cluster occurs when B = BP = N to N-1R = N to N+1Explanation of the X-shaped structure
-
2D plot of relevant peaks above 2500 ctsl4l1Expand one of the Xs: resulting pattern more complicated
Chart6
560.75510402560.7810835989593.8779114126593.8779114126593.8779114126593.8779114126593.8779114126593.8779114126
559.9324173577559.9583969365560.668505424560.7031448624593.7818419792593.7818419792593.7818419792593.7818419792
559.9757166557560.0016962345560.6165462664560.6511857048560.711804722560.7377843008593.7234820431593.7234820431
559.9497370769559.9930363749560.5905666876560.6338659856593.7031308859593.7031308859593.7031308859593.7031308859
560.0016962345560.0363356729560.5472673895560.581906828560.625206126560.6598455644593.6459680766593.6459680766
559.9843765153560.0190159537560.5299476703560.5645871088560.625206126593.6301061453593.6301061453593.6301061453
560.0449955325560.0709751113560.1056145497560.1575737074560.4779885127560.5126279511560.5732469684593.5738411812
560.0276758133560.0623152517560.122934269560.1489138478560.4606687935560.4953082319560.5559272492560.5299476703
560.0796349709560.1142744093560.1748934266560.4173694955560.4520089339560.5039680915593.5094956105593.5094956105
560.0709751113560.0969546901560.4087096359560.4260293551593.5002178771593.5002178771593.5002178771593.5002178771
560.1315941286560.166233567560.209532865560.3567504783560.3913899167560.4346892147593.447245012593.447245012
560.1142744093560.1402539882560.3567504783560.3827300571560.4260293551593.4409600958593.4409600958593.4409600958
560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975593.3870893855593.3870893855
560.2008730054560.3394307591560.3654103379593.3849944134593.3849944134593.3849944134593.3849944134593.3849944134
560.2355124438560.2701518822593.3275323224593.3275323224593.3275323224593.3275323224593.3275323224593.3275323224
560.2181927246560.252832163560.296131461593.2982027135593.2982027135593.2982027135593.2982027135593.2982027135
560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975593.2404413408593.2404413408
560.2008730054560.3307708994560.3654103379593.2344557063593.2344557063593.2344557063593.2344557063593.2344557063
560.122934269560.1575737074560.209532865560.3480906187560.3913899167560.4346892147593.183877095593.183877095
560.1056145497560.1402539882560.3394307591560.3827300571593.175197925593.175197925593.175197925593.175197925
560.0796349709560.1142744093560.166233567560.4173694955560.4520089339560.4953082319593.1294078212593.1294078212
560.0623152517560.0969546901560.1489138478560.3913899167560.4346892147593.1171372706593.1171372706593.1171372706
560.0363356729560.0709751113560.1142744093560.1489138478560.4779885127560.5126279511560.5472673895560.5645871088
560.0190159537560.0536553921560.122934269560.4606687935560.4953082319593.065660814593.065660814593.065660814
560.0016962345560.0363356729560.1056145497560.122934269560.5386075299560.5732469684560.625206126560.6598455644
559.9757166557560.0103560941560.5212878107560.5472673895560.625206126593.0207685555593.0207685555593.0207685555
559.9583969365559.9843765153560.581906828560.6165462664560.6598455644560.7031448624592.994132482592.994132482
559.9497370769559.9843765153560.5992265472560.625206126592.9812633679592.9812633679592.9812633679592.9812633679
559.9237574981559.9497370769560.5299476703560.5732469684560.6598455644560.7031448624592.9603136472592.9603136472
Sheet1
Analysis of 072307d2f.datConducted on 051208NEW VALUES:Next, remove the ones thatSTEP 3: use boxesNOW, MAKE A CORRECTION FOR THE ETALON BLOCKSREFRACTIVE INDEX:ZARETANAKANOW, CONVERT PIXELS TO WAVELENGTH AND WAVENUMBERCONVERT TO CM-1ANALYSIS OF RESULTSNow, calculate B'The other X:Next, look at what appears to be the third set of X'sWe need more points.
Only exposures 700-4000Step 1Selection process:do nont lie along the Xsee ppt file "squares for 072307d2f v3.ppt"DL blocked at:157815847should use 1.0002724AND HIGHLIGHT THE ONESNow look at the fine splitting as a function of N"First, for the Dye laser axisNext, for the detection axisThen, use the boxes to look for relationships.One possibility is to go back to the original data
GOAL: Only include pixels 950-1150 that are clearly part of the X (see threshold plot)Only include Zare-identified peaks belowStep 2Here we use the following:315731648Delta in cols Z and AB reduced if use 1.000278THAT ARE PART OF THE X(according to the drawing of boxes)(Note: it looks relatively constant).Separate the two Xsw4 valuesand reduce the threshold for these Zare resonances.
First cut: Only peaks above 2500 counts below that are Zare-identifiedInclude only peaks above 2500 countsI had to add 3684 for completion of boxesNumber of boxes (4 per quantum number)4736474271.0002724THEN ENTER THE CORRESPONDING QUANTUM NUMBERS.N" according to boxesHere is the first one:For results in cm-1:Below are additional peaks found by doing so:
Second cut: Only include peaks that fall on the XNote: 2370 is not really resolvedI also added 3668, but its points may not be needed, except for the unidentified third X. Therefore, 3684 is given N"=12 designation (missing in both the Zare and Tanaka papers)Size of boxes (consistent for a given quantum number)CorrespondingInclude onlyetalon blockCorrespondingConvertZare valuesN"N'FZareTanakaTanakaseparationseparationAverageNote: average points if they disagree(Note: bottom vs top is based on best guesses)Threshold 2000 cts
First, show the old values are below:But 3668 is also very close to anticipated Zare resonance of N"=14 to N'=15. But perhaps its points don't line up in the X.Intensity of peaks (if too many boxes for a given quantum number)Dye Laserthe relevant onescorrectionDye LasertoDeltavaluesDeltabetween X'sbetween X'swidth ofFine splittingWidth of Xw3 valuesrising slopefalling slope
exposureCCD leftCCD rightCCD leftCCD rightexposureCCD leftCCD rightCCD leftCCD rightexposureCCD leftCCD rightCCD leftCCD rightRelative spacing between boxes (consistent with spin-rotation coupling AND two neighboring X's).wavelengthExposure numberwavelengthwavenumberin cm-1in cm-1RPXCorresponds to R-Pbottomtopbottomtop
716970975111111147169709751111111471611111114593.8779114126593.87791141267160593.877911412616833.892201910316832.7216151.172201910316833.830.0622019103716593.8779114126560.75510402560.781083598971616833.892201910317828.240296245617827.4143586607559.9559.95560.4560.42
862974978Result:593.8342162809
91096511051108In addition to the two X's, I seem to see a third X that has a slightly different relationship between the B" and B' constants; the slope of the branches are different!593.8198507582N"
1037101610191058106211011105103710161019105910621101110510371016101911011105What is the cause of this third X?593.7818419792593.781841979210370593.781841979216836.615798980416836.56141320.055798980416836.590.02579898041037593.7818419792559.9324173577559.9583969365560.668505424560.7031448624103716836.615798980417854.434628009117853.606261662417830.993974336317829.892401029140.82836634671.101573307223.577257153123.440653672923.71386063341417854.434628009117830.993974336317853.606261662417829.892401029red1416836.6157989804560.31560.34
11711027103110781082borderline593.74173822830
121210631066single593.72946767760
1232102110251051105510951099approx 5000 counts12321021102410951099110611091232102110241095109911061109593.7234820431593.723482043112320593.723482043116838.270750911416838.24121110.030750911416838.250.02075091141232593.7234820431559.9757166557560.0016962345560.6165462664560.6511857048560.711804722560.7377843008123216838.270750911417853.054060132817852.225821882617832.646589537617831.544812034817829.617028968617828.7909638206120.82823825021.101777502820.544240221510.82831510450.2760708780.8264224820.550871732720.407470595220.68100984781217853.054060132817832.646589537620.4084169064500.408168338117852.225821882617831.544812034820.5436094204500.4108721884blue1216838.270750911417828.7624517829.58851560.24560.28
1300101810231051105610931097Superhuge13001018102310511056108110851092109713001018102310921097593.7031308859593.703130885913000593.703130885916838.847938865416838.8121120.047938865416838.820.02793886541300593.7031308859559.9497370769559.9930363749560.5905666876560.6338659856130016838.847938865417853.882375237317852.501892760617833.473012019617832.0956837676121.38048247671.377328252120.4077861054220.409363217720.40620899311217853.882375237317833.473012019617852.501892760617832.09568376761216838.8479388654560.25560.28560.5560.54
13271029103410701075borderlineSTEP 4:593.695050279300
14241027103110631066borderlineCreate a table of the newly assigned rotational peaks with their quantum numbers593.666019952100
1491102410281039104310871091huge1491102410281039104310871091109611001491102410281087109110961100Compare vibrational origin positions with that of Jost.593.6459680766593.645968076614910593.645968076616840.469369658516840.4110910.059369658516840.450.01936965851491593.6459680766560.0016962345560.0363356729560.5472673895560.581906828560.625206126560.6598455644149116840.469369658517852.225821882617851.121623748417834.850553054217833.748503202417832.371132397717831.2693889315101.10419813421.102049851917.374194687210.55215029460.55208199230.5510760040.55100790117.375268828417.3731205461017852.225821882617834.850553054217.3758059737420.41370966617851.121623748417833.748503202417.3736575917420.4136585141green1016840.469369658517831.2408717832.34261560.14560.17560.23560.89560.92
1544102210261046105010861089SUPERHUGE (only take peaks >>3000 from now on)15441022102610461050108510891096154410221026108510891096593.6301061453593.630106145315440593.630106145316840.919350827816840.8810920.039350827816840.90.01935082781544593.6301061453559.9843765153560.0190159537560.5299476703560.5645871088560.625206126154416840.919350827817852.777972177217851.673705740717835.401629058317834.299511103317832.3711323977101.10426643651.102117954917.3752688782217.37634311917.37419463741017852.777972177217835.401629058317851.673705740717834.29951110331016840.919350827817832.34261560.2560.23
1739102910321042107910831090HUGE, and other big peaks to the right1739102910321036104210791083109017391029103210361042107910831090593.5717462091593.571746209117397593.573841181216842.515704401216842.448710.075704401216842.470.04570440121739593.5738411812560.0449955325560.0709751113560.1056145497560.1575737074560.4779885127560.5126279511560.5732469684173916842.515704401217850.845595557317850.017562199717848.913637211317847.258005723617837.055061420517835.952739118617834.024002896880.82803335761.10232230213.92767860910.55206491870.27600258370.5512122480.551144119713.790534136814.0648230812817850.845595557317837.055061420513.7909604722340.405616484517850.017562199717835.952739118613.9272523132340.409625068purple816842.515704401217833.9954817847.2294617848.88509559.87559.91
178110271031103810421077108117811027103110381041107710811088178110271031103810411077108110881085593.5591763767593.559176376717817593.561271348816842.872377940816842.798720.082377940816842.820.05237794081781593.5612713488560.0276758133560.0623152517560.122934269560.1489138478560.4606687935560.4953082319560.5559272492560.5299476703178116842.872377940817851.397660476117850.293564783417848.361725919217847.533922974917837.606273668517836.503883238217834.575027822417835.401629058381.10409569271.102390430313.7905341763213.791386807513.7896815451817851.397660476117837.606273668517850.293564783417836.5038832382816842.872377940817834.546517835.373117847.5053717848.33318
179410311035slightly asymmetric, only 6000 counts593.555285714300
18221014101710571061only 4000 counts593.54690582600
187510261031only 4000 counts593.531043894700
19391023102610851089only 5000 counts593.511889864300
194410191023only 4000 counts593.510393455700
1954103310371044107210761082could two be overlapping?19541033103710441072107610821954103310371044107210761082593.5074006385593.507400638519547593.509495610516844.341692514116844.286510.061692514116844.310.03169251411954593.5094956105560.0796349709560.1142744093560.1748934266560.4173694955560.4520089339560.5039680915195416844.341692514117849.741568151117848.637677298717846.706196813717838.984453346817837.881892568117836.228306920861.10389085231.102560778710.756449767410.27599404860.551928358510.757114804310.7557847306617849.741568151117838.984453346810.7572810828260.413741580117848.637677298717837.881892568110.6182950067260.4083959618yellow616844.341692514117836.1997817846.67765
198510311035107010741985101210561100103210351071107319851032103510711073593.498122905593.49812290519857593.500217877116844.60500718116844.526520.08500718116844.540.0650071811985593.5002178771560.0709751113560.0969546901560.4087096359560.4260293551198516844.60500718117850.017562199717849.189605657317839.260114838517838.708800374360.82795654250.551314464110.6191263221210.757447361210.4808052829617850.017562199717839.260114838517849.189605657317838.7088003743616844.605007181560.49
2162103910431048106510691074Triplet because two are overlapping?2162102410301039104310481065106910742162103910431048106510691074593.4451500399593.445150039921627593.44724501216846.108606694916846.034310.078606694916846.050.05860669492162593.447245012560.1315941286560.166233567560.209532865560.3567504783560.3913899167560.4346892147216216846.108606694917848.085783072317846.982097003317845.602681353917840.914262713817839.81146338117838.433155920741.1036860691.10279933287.171076990410.55189422640.827751754400.27568705167.17152035867.1706336223417848.085783072317840.91426271387.4474674718180.413748192917846.982097003317839.8114633817.4466659737180.4137036652red416846.108606694917838.4046217838.6802717845.57414560.01560.06
2183103710401068107321831037104010681073218310371040106510681073593.4388651237593.438865123721837593.440960095816846.287017670916846.24320.087017670916846.220.06701767092183593.4409600958560.1142744093560.1402539882560.3567504783560.3827300571560.4260293551218316846.287017670917848.637677298717847.809848757717840.914262713817840.087150432617838.708800374340.8278285410.82711228117.72305645527.7234145857.7226983251417848.637677298717840.914262713817847.809848757717840.0871504326416846.2870176709560.02560.05560.2
236310431048105210581063106723631043104810521058106310672363104310481052105810631067593.3849944134593.384994413423637593.387089385516847.816409637316847.82211-0.003590362716847.87-0.05359036272363593.3870893855560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975236316847.816409637317846.982097003317845.602681353917844.499302353117842.844489656917841.465713510317840.36284600521.37941564941.37877614654.13728759514.13760734654.1369678436217845.602681353917841.4657135103blue216847.816409637317840.3343117840.6100117844.47076
2370104710521063106623701047106310662370104710631066593.3828994413593.382899441323707593.384994413416847.875891601116847.822120.055891601116847.870.0058916011Not resolved2370593.3849944134560.2008730054560.3394307591560.3654103379560.2009 may be a doublet or triplet?237016847.875891601117845.878547424917841.465713510317840.638550098624.412833914522216847.8758916011560.16560.24560.3
248010611065593.349978451700
252810521056only 4000 counts593.33561292900
2562105110552562105110551099256210511055593.3254373504593.325437350425627593.327532322416849.507560661816850.370016850.31JOST'S VALUE = 16849.4622562593.3275323224560.2355124438560.2701518822256216849.507560661817844.775134311617843.6718576383IS THIS THE VIBRATIONAL ORIGIN? (N"=0 TO N'=0)01.1032766733000
2660104910531058only 4000 counts26601049105310582660104910531058593.2961077414593.296107741426607593.298202713516850.34051357716850.37011 or 2?16850.38TANAKA'S VALUE = 16850.372660593.2982027135560.2181927246560.252832163560.296131461266016850.34051357717845.326823811717844.223478921617842.8444896569IS THIS THE N"=0 TO N'=1 TRANSITION?1 or 2?0
266910311035only 4000 counts593.293414205900
277010321042borderline593.263186751800
282810261031only 4000 counts593.245828411800
2853104310481052105710631067Huge triplet because two are overlapping?28531043104810521058106310672853104310481052105810631067593.2383463687593.238346368728537593.240441340816851.981161669816851.99231-0.008838330216852-0.01883833022853593.2404413408560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975285316851.981161669817846.982097003317845.602681353917844.499302353117842.844489656917841.465713510317840.36284600521.37941564941.37877614654.13728759514.13760734654.136967843624.2200278584100.422002785817845.602681353917841.4657135103blue216851.981161669817844.4707617840.33431
2873104510471062106628731047106210662873104710621066593.2323607342593.232360734228737593.234455706316852.151195285516852.112320.041195285516852.150.00119528552873593.2344557063560.2008730054560.3307708994560.3654103379560.2009 may be a doublet?287316852.151195285517845.878547424917841.741451692617840.638550098624.137095732322216852.151195285517840.33431
292410401044borderline593.217097366300
292810221027borderline593.215900239400
301910381042borderline593.188665602600
302310151020borderline593.187468475700
3042103810421048106410691074Huge triplet because two are overlapping, more to the right30421038104210481064106910743042103810421048106410691074593.1817821229593.181782122930427593.18387709516853.588116345416853.554510.038116345416853.59-0.00188365463042593.183877095560.122934269560.1575737074560.209532865560.3480906187560.3913899167560.4346892147304216853.588116345417848.361725919217847.258005723617845.602681353917841.189983850917839.81146338117838.433155920741.10372019561.37852046997.309142205510.55191129210.55184303410.27572965950.27568705167.17174206837.446542342647.5136026052180.41742236717848.361725919217841.18998385097.3098328846180.406101826917847.258005723617839.8114633817.5846203338180.4213677963red416853.588116345417845.5741417838.40462
30711036104010631068Huge3071103610401063106830711036104010631068593.1731029529593.173102952930717593.17519792516853.834713230716853.794520.044713230716853.85-0.01528676933071593.175197925560.1056145497560.1402539882560.3394307591560.3827300571307116853.834713230717848.913637211317847.809848757717841.465713510317840.087150432641.10378845361.37856307777.58531101327.44792370097.7226983251417848.913637211317841.465713510317847.809848757717840.0871504326416853.8347132307
308810181022only 5000 counts593.168015163600
309910351038borderline593.164723064600
310910171021borderline593.161730247400
31691034borderline593.14377334400
3232103310371072107610811044huge32321033103710431072107610813232103310371043107210761081593.1249185954593.1249185954323215593.129407821216855.135843860816855.116710.025843860816855.15-0.01415613923232593.1294078212560.0796349709560.1142744093560.166233567560.4173694955560.4520089339560.4953082319323216855.135843860817849.741568151117848.637677298717846.982097003317838.984453346817837.881892568117836.503883238261.10389085231.102560778710.756449767410.55199663230.55192835850.82701003420.551263352510.757114804310.7557847306610.8368455752260.416801752917849.741568151117838.984453346810.6196081033260.408446465517848.637677298717837.881892568110.7561172336260.4136968167yellow616855.135843860817846.9535517836.47535
323510111016only 4000 counts593.124020750200
32561016only 4000 counts593.11773583400
32731031103510691074SUPERHUGE327310311035104110691074327310311035104110691074593.1126480447593.1126480447327315593.117137270616855.484546984616855.446720.044546984616855.49-0.00545301543273593.1171372706560.0623152517560.0969546901560.1489138478560.3913899167560.4346892147327316855.484546984617850.293564783417849.189605657317847.533922974917839.81146338117838.433155920761.10395912611.378307460310.6192755695210.482101402410.7564497366617850.293564783417839.81146338117849.189605657317838.4331559207616855.484546984617847.50537
3393102810321037104210781083huge339310281032103710411079108310871089339310281032103710411079108310871089593.0767342378593.0767342378339315593.081223463716856.505224410716856.468910.045224410716856.50.00522441073393593.0812234637560.0363356729560.0709751113560.1142744093560.1489138478560.4779885127560.5126279511560.5472673895560.5645871088339316856.505224410717851.121623748417850.017562199717848.637677298717847.533922974917837.055061420517835.952739118617834.850553054217834.299511103381.10406154871.10232230214.065692704510.55208199230.55201370270.5512122480.551144119714.066562327914.0648230812814.0323492102340.412716153217851.121623748417837.055061420514.0669972340.413735211817850.017562199717835.952739118614.0652578727340.4136840551purple816856.505224410717847.5053717848.6091317834.2709817834.82203
34451026103010771081SUPERHUGE344510261030103810771081344510261030103810771081593.0611715882593.0611715882344515593.06566081416856.947556351816856.898920.057556351816856.930.01755635183445593.065660814560.0190159537560.0536553921560.122934269560.4606687935560.4953082319344516856.947556351817851.673705740717850.569575902417848.361725919217837.606273668517836.503883238281.10412983831.102390430314.0665623682214.067432072214.0656926642817851.673705740717837.606273668517850.569575902417836.5038832382816856.947556351817848.33318
35261024102810861090only 4000 counts352610241028103610381086109010961100352610241028103610381086109010961100593.0369297686593.0369297686352615593.041418994416857.636619660316857.59101110.046619660316857.65-0.01338033973526593.0414189944560.0016962345560.0363356729560.1056145497560.122934269560.5386075299560.5732469684560.625206126560.6598455644352616857.636619660317852.225821882617851.121623748417848.913637211317848.361725919217835.126086799417834.024002896817832.371132397717831.2693889315101.10419813421.102083902617.098677967410.82823825020.82813579440.55109303180.826550157417.099735083217.09762085161017.2357715623420.410375513417852.225821882617835.126086799417.2383076924420.410435897417851.121623748417834.024002896817.09841367420.4071050874green1016857.636619660317848.3331817848.8850917831.2408717832.34261
35711025only 4000 counts593.02346209100
35951022102510841088SUPERHUGE359510101014102110251045104910611066108410871096359510211025108410871096593.0162793296593.0162793296359515593.020768555516858.223643950616858.2101120.023643950616858.210.01364395063595593.0207685555559.9757166557560.0103560941560.5212878107560.5472673895560.625206126359516858.223643950617853.054060132817851.949759542817835.677179831217834.850553054217832.3711323977101.104300590.826626776917.2380433951217.376880301617.09920648851017853.054060132817835.677179831217851.949759542817834.85055305421016858.223643950617832.34261
366810121017102210311035only 4000 counts366810121017102210311035110311073668592.9944317638592.9944317638366800
3684101810221058106210911096only 6000 counts3684101810221058106210911096110011053684101910221091109511001105592.9896432562592.9896432562368415592.99413248216858.9808805878121313684592.994132482559.9583969365559.9843765153560.581906828560.6165462664560.6598455644560.7031448624368416858.980880587817853.606261662417852.777972177217833.748503202417832.646589537617831.269388931517829.892401029120.82828948521.377200606221.234127685310.276113574900.55093981051.101743466320.959672124821.50858324581220.604475838500.412089516817853.606261662417832.646589537620.822259007500.416445180117852.777972177217831.269388931520.9577115126500.4191542303blue1216858.980880587817829.8638817831.24087
372710181022109310963727101810221092109637271018102210931096592.9767741421592.9767741421372715592.981263367916859.34676086516859.3121320.04676086516859.330.0167608653727592.9812633679559.9497370769559.9843765153560.5992265472560.625206126372716859.34676086517853.882375237317852.777972177217833.197529348217832.3711323977121.10440306010.8263969504220.684845889120.40683977951217853.882375237317833.197529348217852.777972177217832.37113239771216859.346760865
379710151018105810623797101510181058106210851090110011053797101510181085109011001105592.9558244214592.9558244214379715592.960313647216859.942413891316858.8114151.132413891316859.930.01241389133797592.9603136472559.9237574981559.9497370769560.5299476703560.5732469684560.6598455644560.7031448624379716859.942413891317854.710767206817853.882375237317835.401629058317834.024002896817831.269388931517829.892401029140.82839196951.376987902523.715676241823.441378275423.98997420831417853.882375237317829.892401029red1416859.9424138913
383010131016only 4000 counts592.9459481245
4594.091The above separation isAboveAbove fine splitting results do not show aSpacing values not very consistent.ave =ave =ave =
5016592.591relatively constant with aisconsistent trend where the splitting isValues for series 3 and 4 > values for series 1 &20.41523468150.41101488430.4131263383
101710221031103511031107value of roughly 1 cm-1uselessrelated to N".Not sure why.but it could be related to the distorted X shape(Zare and Tanaka's are 0.422.stdev=stdev=
average =average =for the separation between(compression of the X as the w4 wavelength decreases; a sign of vibration-rotation interaction?)Perhaps they also have higher order terms).0.00376196860.0044905101
0.09174853570.0153485357the two X's.Plot is above
ave without end vals:0.0483874792stdev =0.0294636273It shows that B' decreases with N", which is probably
Recall that 1 pixel is roughly 0.3 cm-1a sign of centrifugal distortion
wavelength accuracy of scanmate is 5PMIf that is the case, then the value of B'=0.422 for the lower N"=2 might be better
which is roughly 0.15 cm-1which is more consistent with Zare's and Tanaka's values
above deltas are both within the accuracy of the scanmate
(Repeated OGE scans on 110907d3 indicates a total dye laser deviation of 3pm during repeated short runs with MES)Measured
Therefore, accuracy is specified to within 5PM after correction by OGE (due to mechanical reproducibility of DL)VIBRATIONAL ORIGINS:
16849.507560661817844.7751343116is this a vibrational origin?
wavelength accuracy of 821 is 1PM17843.6718576383
which is roughly 0.03 cm-1
Tanaka delta is within accuracy of the 821
Literature values from Jost 1995:
16849.46217843.646
17842.578
Although Zare's paper has more quantum numbers,from Zare:
our results generally agree better with Tanaka's work.16849.48
Our results deviate from Zare's strongly for N'=15 (both P and R)From Tanaka::
16849.502
Tanaka's paper indicates the error is to within 1GHz (0.03 cm-1)But the accuracy of the Jost values is better than that for Tanaka and Zare: ring laser vs. pulsed; better wavemeter
Zare's paper indicates accuracy is to within 0.1 angstroms (0.3 cm-1)DELTA in cm-1
0.04556066181.1291343116
1.0938576383
DL error is around 1.5PM; within tolerance of DL and close to that of 821
Mchr error is less than 0.01 nm; within expected tolerance
(Observed mchr reproducibility and accuracy is usually +/- 20 pm)
Using the 821, usually observe that the OGE resonance is 2-4 pm higher than the literature valueThe two new X's do not show sign of centrifugal distortion
Could the new vibrational origin be RECARS?
Take the difference between w3 and w4:
995.2675736498cm-1
Is there a vibration with this frequency?
No they are at 750, 1325, and 1633 cm-1
Difference between our vibrational origin and Jost's is 0.046 cm-1.
The step size of the Dl was 0.0003 nm, which is roughly 0.01 cm-1
Therefore, disagreement corresponds to 4-5 step sizes.
Ours might be better because ours is a direct measurement
Note also the disagreement between the Zare, Tanaka, and Jost vibrational origins.
Sheet1
101610191058106211011105
102710311078108211711171
121212121063106612121212
102110251051105510951099
101810231051105610931097
102910341070107513271327
102710311063106614241424
102410281039104310871091
102210261046105010861089
102910321042107910831090
102710311038104210771081
103110351794179417941794
101410171057106118221822
102610311875187518751875
102310261085108919391939
101910231944194419441944
103310371044107210761082
103110351070107419851985
103910431048106510691074
103710401068107321832183
104310481052105810631067
104710521063106623702370
106110652480248024802480
252825281052105625282528
105110552562256225622562
104910531058266026602660
103110352669266926692669
103210422770277027702770
102610312828282828282828
104310481052105710631067
104510471062106628732873
292410401044292429242924
102210272928292829282928
103810423019301930193019
101510203023302330233023
103810421048106410691074
103610401063106830713071
101810223088308830883088
103510383099309930993099
101710213109310931093109
103431693169316931693169
103310371072107610811044
101110163235323532353235
101632563256325632563256
103110351069107432733273
102810321037104210781083
102610301077108134453445
102410281086109035263526
102535713571357135713571
102210251084108835953595
101210171022103110353668
101810221058106210911096
101810221093109637273727
101510181058106237973797
101310163830383038303830
Sheet2
101610191059106211011105103710371037103710371037
102110241095109911061109123212321232123212321232
101810231051105610811085109210971097130013001300
102410281039104310871091109611001100149114911491
102210261046105010851089109615441544154415441544
102910321036104210791083109017391739173917391739
102710311038104110771081108817811781178117811781
103310371044107210761082195419541954195419541954
101210561100103210351071107319851985198519851985
102410301039104310481065106910741074216221622162
103710401068107321832183218321832183218321832183
104310481052105810631067236323632363236323632363
104710631066237023702370237023702370237023702370
105110551099256225622562256225622562256225622562
104910531058266026602660266026602660266026602660
104310481052105810631067285328532853285328532853
104710621066287328732873287328732873287328732873
103810421048106410691074304230423042304230423042
103610401063106830713071307130713071307130713071
103310371043107210761081323232323232323232323232
103110351041106910743273327332733273327332733273
102810321037104110791083108710891089339333933393
102610301038107710813445344534453445344534453445
102410281036103810861090109611001100352635263526
101010141021102510451049106110661066108410871096
101210171022103110351103110736683668366836683668
101810221058106210911096110011051105368436843684
101810221092109637273727372737273727372737273727
101510181058106210851090110011051105379737973797
Sheet3
111111
11111111111
11111114716716716716716716716716716
10161019110111051037103710371037103710371037
10211024109510991106110912321232123212321232
10181023109210971300130013001300130013001300
10241028108710911096110014911491149114911491
10221026108510891096154415441544154415441544
10291032103610421079108310901739173917391739
10271031103810411077108110881085178117811781
10331037104410721076108219541954195419541954
10321035107110731985198519851985198519851985
10391043104810651069107421622162216221622162
10371040106510681073218321832183218321832183
10431048105210581063106723632363236323632363
10471063106623702370237023702370237023702370
10511055256225622562256225622562256225622562
10491053105826602660266026602660266026602660
10431048105210581063106728532853285328532853
10471062106628732873287328732873287328732873
10381042104810641069107430423042304230423042
10361040106310683071307130713071307130713071
10331037104310721076108132323232323232323232
10311035104110691074327332733273327332733273
10281032103710411079108310871089339333933393
10261030103810771081344534453445344534453445
10241028103610381086109010961100352635263526
10211025108410871096359535953595359535953595
36683668366836683668366836683668366836683668
10191022109110951100110536843684368436843684
10181022109310963727372737273727372737273727
10151018108510901100110537973797379737973797
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
N"
B'
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
N"
B'
Here are all of them:
(points greater than 2500 for the Zare identified exposure numbers)
Exposure numberPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeight
716970343797542841111390411144435
1038101635441019386810596191106266371101667211057480
1232102128701024292010954391109947921106246211092849
13001018860610231027010513850105637061081391610854414109220867109725105
1491102444421028509410394930104333681087200231091194931096640111007335
1544102214792102615864104687121050963410854811610894885410965665
1740102914048103215643103656611042667010791648110831945310907268
1781102712482103113170103851821041465910772415310812962210884169
19541033766510378266104436321072866210761346110829504
198510123072105629221100248510328423103592351071918310739928
216210242928103030621039378010435721104847321065552510691057710747482
218310375514104063911068552110733781
2363104338811048621310524037105839701063783310675227
2370104727151063345710662674
2562105161141055601310993694
285310439851104818993105211308105829931063579710674239
2873104774181062520410664475
3042103811681104219197104813982106453371069983510746822
30711036150471040176981063322810684229
3232103320504103720842104384931072691510761082010817260
327310313037210353185110414486106910821107412480
33931028200321032225721037776610418242107999981083995410894376
344510264156110304271210386181107714772108115129
35261024419610274519103631781038316710873929109044011096248911002467
359510105036101459981021281211025334431045434510494610106129731066340810842116110872189610964590
372710188641102296571092652810967507
37971015606110187277105840521062451710852464109027271100389611054722
NEXT, REMOVE ALL THAT ARE BELOW 7000
Exposure numberPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeight
10383544386810596191106266371101667211057480
123228702920109543911099479224622849
1300101886061023102701051385010563706391610854414109220867109725105
14914442102850941039493033681087200231091194931096640111007335
1544102214792102615864104687121050963410854811610894885410965665
1740102914048103215643103656611042667010791648110831945310907268
1781102712482103113170103851821041465910772415310812962210884169
1954103376651037826636321072866210761346110829504
198530722922248510328423103592351071918310739928
216229283062378010435721104847321065552510691057710747482
2183551410406391106855213781
23633881104862131052403739701063783310675227
2562611460133694
28531043985110481899310521130829931063579710674239
287310477418520410664475
3042103811681104219197104813982106453371069983510746822
3071103615047104017698322810684229
3232103320504103720842104384931072691510761082010817260
327310313037210353185110414486106910821107412480
33931028200321032225721037776610418242107999981083995410894376
344510264156110304271210386181107714772108115129
35955036599810212812110253344310454345104946102973340810842116110872189610964590
372710188641102296571092652810967507
3797606110187277105840521062451724642727389611054722
All points
Points above 4000
Problem: some of the unwanted peaks are above 6000, but eliminating all peaks below 7000 removes some important peaks from the X.
So the strategy should be to include all of the ones above 2500, but then to eliminate based upon the following:
1) position along the X
2) ability to find other 3 partners
3) anticipated spin-rotation coupling
4) expected box sizes and positions (due to the presence of two adjacent X's).
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
11111111111
Analysis of 072307d2f.datoriginal designation on sheet 1Conclusion:
Only exposures 700-4000when comparison with Zare conductedK=1 and 2 are not clearly and consistently seen in the CDRES spectrum
PURPOSE: LOOK FOR K=1 AND K=2 SUBBANDSbefore comparison with Tanakawhen a threshold of 2500 is used.
Below are all peaks above 2500 counts1.0002724
etalonConvertUSE TANAKAUSE ZAREN"N'F
blocktoN" FOR SUBBANDonly for
exposurecorrectionwavelengthwavenumberK=0K=1K=2K=1
716593.877911412616833.8922019103161615
862593.834216280916835.130862661718
910593.819850758216835.5381334106
1037593.781841979216836.61579898041414132
1171593.741738228316837.7530130319
1212593.729467677616838.1009972787
1232593.723482043116838.27075091141212111
1300593.703130885916838.84793886541212112
1327593.695050279316839.077127410611
1424593.666019952116839.900559951
1491593.645968076616840.4693696585101091
1544593.630106145316840.9193508278101092
17397593.573841181216842.51570440128871
17817593.561271348816842.87237794088872
17947593.557380686416842.982779955210
18227593.549000798116843.220573824977
18757593.533138866716843.6707020338
19397593.513984836416844.2142851467
19447593.512488427816844.256754055
19547593.509495610516844.34169251416651
19857593.500217877116844.6050071816652
21627593.44724501216846.10860669494431
21837593.440960095816846.28701767094432
23637593.387089385516847.8164096373221
23707593.384994413416847.8758916011221
24807593.352073423816848.8106633366
25287593.33770790116849.2185962382
25627593.327532322416849.507560661800
26607593.298202713516850.340513577001
26697593.29550917816850.41701338180Not sure about this one; w4 value looks like it is in the wrong place. Therefore, agree with Zare but not Tanaka
27707593.265281723916851.2755588297
28287593.247923383916851.7686244752
28537593.240441340816851.9811616698223
28737593.234455706316852.1511952855223
29247593.219192338416852.58479653643
29287593.217995211516852.618805421333
30197593.190760574616853.39254463644
30237593.189563447716853.4265567815
30427593.18387709516853.5881163454445
30717593.17519792516853.8347132307445
30887593.170110135716853.979273380655
30997593.166818036716854.0728136225
31097593.163825219516854.15785110715
316915593.148262569816854.6000598603
323215593.129407821216855.1358438608667
323515593.128509976116855.161358234377
325615593.122225059916855.339961011677
327315593.117137270616855.4845469846667
339315593.081223463716856.5052244107889
344515593.06566081416856.9475563518889
352615593.041418994416857.6366196603101011
357115593.027951316816858.0194569518
359515593.020768555516858.2236439506101011
366815592.998920989616858.8447431432
368415592.99413248216858.9808805878131213my new assignment
372715592.981263367916859.346760865121213
379715592.960313647216859.9424138913141415
383015592.950437350416860.2232363451
-
2D plot of relevant peaks above 2500 ctsl4l1
Chart6
560.75510402560.7810835989593.8779114126593.8779114126593.8779114126593.8779114126593.8779114126593.8779114126
559.9324173577559.9583969365560.668505424560.7031448624593.7818419792593.7818419792593.7818419792593.7818419792
559.9757166557560.0016962345560.6165462664560.6511857048560.711804722560.7377843008593.7234820431593.7234820431
559.9497370769559.9930363749560.5905666876560.6338659856593.7031308859593.7031308859593.7031308859593.7031308859
560.0016962345560.0363356729560.5472673895560.581906828560.625206126560.6598455644593.6459680766593.6459680766
559.9843765153560.0190159537560.5299476703560.5645871088560.625206126593.6301061453593.6301061453593.6301061453
560.0449955325560.0709751113560.1056145497560.1575737074560.4779885127560.5126279511560.5732469684593.5738411812
560.0276758133560.0623152517560.122934269560.1489138478560.4606687935560.4953082319560.5559272492560.5299476703
560.0796349709560.1142744093560.1748934266560.4173694955560.4520089339560.5039680915593.5094956105593.5094956105
560.0709751113560.0969546901560.4087096359560.4260293551593.5002178771593.5002178771593.5002178771593.5002178771
560.1315941286560.166233567560.209532865560.3567504783560.3913899167560.4346892147593.447245012593.447245012
560.1142744093560.1402539882560.3567504783560.3827300571560.4260293551593.4409600958593.4409600958593.4409600958
560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975593.3870893855593.3870893855
560.2008730054560.3394307591560.3654103379593.3849944134593.3849944134593.3849944134593.3849944134593.3849944134
560.2355124438560.2701518822593.3275323224593.3275323224593.3275323224593.3275323224593.3275323224593.3275323224
560.2181927246560.252832163560.296131461593.2982027135593.2982027135593.2982027135593.2982027135593.2982027135
560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975593.2404413408593.2404413408
560.2008730054560.3307708994560.3654103379593.2344557063593.2344557063593.2344557063593.2344557063593.2344557063
560.122934269560.1575737074560.209532865560.3480906187560.3913899167560.4346892147593.183877095593.183877095
560.1056145497560.1402539882560.3394307591560.3827300571593.175197925593.175197925593.175197925593.175197925
560.0796349709560.1142744093560.166233567560.4173694955560.4520089339560.4953082319593.1294078212593.1294078212
560.0623152517560.0969546901560.1489138478560.3913899167560.4346892147593.1171372706593.1171372706593.1171372706
560.0363356729560.0709751113560.1142744093560.1489138478560.4779885127560.5126279511560.5472673895560.5645871088
560.0190159537560.0536553921560.122934269560.4606687935560.4953082319593.065660814593.065660814593.065660814
560.0016962345560.0363356729560.1056145497560.122934269560.5386075299560.5732469684560.625206126560.6598455644
559.9757166557560.0103560941560.5212878107560.5472673895560.625206126593.0207685555593.0207685555593.0207685555
559.9583969365559.9843765153560.581906828560.6165462664560.6598455644560.7031448624592.994132482592.994132482
559.9497370769559.9843765153560.5992265472560.625206126592.9812633679592.9812633679592.9812633679592.9812633679
559.9237574981559.9497370769560.5299476703560.5732469684560.6598455644560.7031448624592.9603136472592.9603136472
Sheet1
Analysis of 072307d2f.datConducted on 051208NEW VALUES:Next, remove the ones thatSTEP 3: use boxesNOW, MAKE A CORRECTION FOR THE ETALON BLOCKSREFRACTIVE INDEX:ZARETANAKANOW, CONVERT PIXELS TO WAVELENGTH AND WAVENUMBERCONVERT TO CM-1ANALYSIS OF RESULTSNow, calculate B'The other X:Next, look at what appears to be the third set of X'sWe need more points.
Only exposures 700-4000Step 1Selection process:do nont lie along the Xsee ppt file "squares for 072307d2f v3.ppt"DL blocked at:157815847should use 1.0002724AND HIGHLIGHT THE ONESNow look at the fine splitting as a function of N"First, for the Dye laser axisNext, for the detection axisThen, use the boxes to look for relationships.One possibility is to go back to the original data
GOAL: Only include pixels 950-1150 that are clearly part of the X (see threshold plot)Only include Zare-identified peaks belowStep 2Here we use the following:315731648Delta in cols Z and AB reduced if use 1.000278THAT ARE PART OF THE X(according to the drawing of boxes)(Note: it looks relatively constant).Separate the two Xsw4 valuesand reduce the threshold for these Zare resonances.
First cut: Only peaks above 2500 counts below that are Zare-identifiedInclude only peaks above 2500 countsI had to add 3684 for completion of boxesNumber of boxes (4 per quantum number)4736474271.0002724THEN ENTER THE CORRESPONDING QUANTUM NUMBERS.N" according to boxesHere is the first one:For results in cm-1:Below are additional peaks found by doing so:
Second cut: Only include peaks that fall on the XNote: 2370 is not really resolvedI also added 3668, but its points may not be needed, except for the unidentified third X. Therefore, 3684 is given N"=12 designation (missing in both the Zare and Tanaka papers)Size of boxes (consistent for a given quantum number)CorrespondingInclude onlyetalon blockCorrespondingConvertZare valuesN"N'FZareTanakaTanakaseparationseparationAverageNote: average points if they disagree(Note: bottom vs top is based on best guesses)Threshold 2000 cts
First, show the old values are below:But 3668 is also very close to anticipated Zare resonance of N"=14 to N'=15. But perhaps its points don't line up in the X.Intensity of peaks (if too many boxes for a given quantum number)Dye Laserthe relevant onescorrectionDye LasertoDeltavaluesDeltabetween X'sbetween X'swidth ofFine splittingWidth of Xw3 valuesrising slopefalling slope
exposureCCD leftCCD rightCCD leftCCD rightexposureCCD leftCCD rightCCD leftCCD rightexposureCCD leftCCD rightCCD leftCCD rightRelative spacing between boxes (consistent with spin-rotation coupling AND two neighboring X's).wavelengthExposure numberwavelengthwavenumberin cm-1in cm-1RPXCorresponds to R-Pbottomtopbottomtop
716970975111111147169709751111111471611111114593.8779114126593.87791141267160593.877911412616833.892201910316832.7216151.172201910316833.830.0622019103716593.8779114126560.75510402560.781083598971616833.892201910317828.240296245617827.4143586607559.9559.95560.4560.42
862974978Result:593.8342162809
91096511051108In addition to the two X's, I seem to see a third X that has a slightly different relationship between the B" and B' constants; the slope of the branches are different!593.8198507582N"
1037101610191058106211011105103710161019105910621101110510371016101911011105What is the cause of this third X?593.7818419792593.781841979210370593.781841979216836.615798980416836.56141320.055798980416836.590.02579898041037593.7818419792559.9324173577559.9583969365560.668505424560.7031448624103716836.615798980417854.434628009117853.606261662417830.993974336317829.892401029140.82836634671.101573307223.577257153123.440653672923.71386063341417854.434628009117830.993974336317853.606261662417829.892401029red1416836.6157989804560.31560.34
11711027103110781082borderline593.74173822830
121210631066single593.72946767760
1232102110251051105510951099approx 5000 counts12321021102410951099110611091232102110241095109911061109593.7234820431593.723482043112320593.723482043116838.270750911416838.24121110.030750911416838.250.02075091141232593.7234820431559.9757166557560.0016962345560.6165462664560.6511857048560.711804722560.7377843008123216838.270750911417853.054060132817852.225821882617832.646589537617831.544812034817829.617028968617828.7909638206120.82823825021.101777502820.544240221510.82831510450.2760708780.8264224820.550871732720.407470595220.68100984781217853.054060132817832.646589537620.4084169064500.408168338117852.225821882617831.544812034820.5436094204500.4108721884blue1216838.270750911417828.7624517829.58851560.24560.28
1300101810231051105610931097Superhuge13001018102310511056108110851092109713001018102310921097593.7031308859593.703130885913000593.703130885916838.847938865416838.8121120.047938865416838.820.02793886541300593.7031308859559.9497370769559.9930363749560.5905666876560.6338659856130016838.847938865417853.882375237317852.501892760617833.473012019617832.0956837676121.38048247671.377328252120.4077861054220.409363217720.40620899311217853.882375237317833.473012019617852.501892760617832.09568376761216838.8479388654560.25560.28560.5560.54
13271029103410701075borderlineSTEP 4:593.695050279300
14241027103110631066borderlineCreate a table of the newly assigned rotational peaks with their quantum numbers593.666019952100
1491102410281039104310871091huge1491102410281039104310871091109611001491102410281087109110961100Compare vibrational origin positions with that of Jost.593.6459680766593.645968076614910593.645968076616840.469369658516840.4110910.059369658516840.450.01936965851491593.6459680766560.0016962345560.0363356729560.5472673895560.581906828560.625206126560.6598455644149116840.469369658517852.225821882617851.121623748417834.850553054217833.748503202417832.371132397717831.2693889315101.10419813421.102049851917.374194687210.55215029460.55208199230.5510760040.55100790117.375268828417.3731205461017852.225821882617834.850553054217.3758059737420.41370966617851.121623748417833.748503202417.3736575917420.4136585141green1016840.469369658517831.2408717832.34261560.14560.17560.23560.89560.92
1544102210261046105010861089SUPERHUGE (only take peaks >>3000 from now on)15441022102610461050108510891096154410221026108510891096593.6301061453593.630106145315440593.630106145316840.919350827816840.8810920.039350827816840.90.01935082781544593.6301061453559.9843765153560.0190159537560.5299476703560.5645871088560.625206126154416840.919350827817852.777972177217851.673705740717835.401629058317834.299511103317832.3711323977101.10426643651.102117954917.3752688782217.37634311917.37419463741017852.777972177217835.401629058317851.673705740717834.29951110331016840.919350827817832.34261560.2560.23
1739102910321042107910831090HUGE, and other big peaks to the right1739102910321036104210791083109017391029103210361042107910831090593.5717462091593.571746209117397593.573841181216842.515704401216842.448710.075704401216842.470.04570440121739593.5738411812560.0449955325560.0709751113560.1056145497560.1575737074560.4779885127560.5126279511560.5732469684173916842.515704401217850.845595557317850.017562199717848.913637211317847.258005723617837.055061420517835.952739118617834.024002896880.82803335761.10232230213.92767860910.55206491870.27600258370.5512122480.551144119713.790534136814.0648230812817850.845595557317837.055061420513.7909604722340.405616484517850.017562199717835.952739118613.9272523132340.409625068purple816842.515704401217833.9954817847.2294617848.88509559.87559.91
178110271031103810421077108117811027103110381041107710811088178110271031103810411077108110881085593.5591763767593.559176376717817593.561271348816842.872377940816842.798720.082377940816842.820.05237794081781593.5612713488560.0276758133560.0623152517560.122934269560.1489138478560.4606687935560.4953082319560.5559272492560.5299476703178116842.872377940817851.397660476117850.293564783417848.361725919217847.533922974917837.606273668517836.503883238217834.575027822417835.401629058381.10409569271.102390430313.7905341763213.791386807513.7896815451817851.397660476117837.606273668517850.293564783417836.5038832382816842.872377940817834.546517835.373117847.5053717848.33318
179410311035slightly asymmetric, only 6000 counts593.555285714300
18221014101710571061only 4000 counts593.54690582600
187510261031only 4000 counts593.531043894700
19391023102610851089only 5000 counts593.511889864300
194410191023only 4000 counts593.510393455700
1954103310371044107210761082could two be overlapping?19541033103710441072107610821954103310371044107210761082593.5074006385593.507400638519547593.509495610516844.341692514116844.286510.061692514116844.310.03169251411954593.5094956105560.0796349709560.1142744093560.1748934266560.4173694955560.4520089339560.5039680915195416844.341692514117849.741568151117848.637677298717846.706196813717838.984453346817837.881892568117836.228306920861.10389085231.102560778710.756449767410.27599404860.551928358510.757114804310.7557847306617849.741568151117838.984453346810.7572810828260.413741580117848.637677298717837.881892568110.6182950067260.4083959618yellow616844.341692514117836.1997817846.67765
198510311035107010741985101210561100103210351071107319851032103510711073593.498122905593.49812290519857593.500217877116844.60500718116844.526520.08500718116844.540.0650071811985593.5002178771560.0709751113560.0969546901560.4087096359560.4260293551198516844.60500718117850.017562199717849.189605657317839.260114838517838.708800374360.82795654250.551314464110.6191263221210.757447361210.4808052829617850.017562199717839.260114838517849.189605657317838.7088003743616844.605007181560.49
2162103910431048106510691074Triplet because two are overlapping?2162102410301039104310481065106910742162103910431048106510691074593.4451500399593.445150039921627593.44724501216846.108606694916846.034310.078606694916846.050.05860669492162593.447245012560.1315941286560.166233567560.209532865560.3567504783560.3913899167560.4346892147216216846.108606694917848.085783072317846.982097003317845.602681353917840.914262713817839.81146338117838.433155920741.1036860691.10279933287.171076990410.55189422640.827751754400.27568705167.17152035867.1706336223417848.085783072317840.91426271387.4474674718180.413748192917846.982097003317839.8114633817.4466659737180.4137036652red416846.108606694917838.4046217838.6802717845.57414560.01560.06
2183103710401068107321831037104010681073218310371040106510681073593.4388651237593.438865123721837593.440960095816846.287017670916846.24320.087017670916846.220.06701767092183593.4409600958560.1142744093560.1402539882560.3567504783560.3827300571560.4260293551218316846.287017670917848.637677298717847.809848757717840.914262713817840.087150432617838.708800374340.8278285410.82711228117.72305645527.7234145857.7226983251417848.637677298717840.914262713817847.809848757717840.0871504326416846.2870176709560.02560.05560.2
236310431048105210581063106723631043104810521058106310672363104310481052105810631067593.3849944134593.384994413423637593.387089385516847.816409637316847.82211-0.003590362716847.87-0.05359036272363593.3870893855560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975236316847.816409637317846.982097003317845.602681353917844.499302353117842.844489656917841.465713510317840.36284600521.37941564941.37877614654.13728759514.13760734654.1369678436217845.602681353917841.4657135103blue216847.816409637317840.3343117840.6100117844.47076
2370104710521063106623701047106310662370104710631066593.3828994413593.382899441323707593.384994413416847.875891601116847.822120.055891601116847.870.0058916011Not resolved2370593.3849944134560.2008730054560.3394307591560.3654103379560.2009 may be a doublet or triplet?237016847.875891601117845.878547424917841.465713510317840.638550098624.412833914522216847.8758916011560.16560.24560.3
248010611065593.349978451700
252810521056only 4000 counts593.33561292900
2562105110552562105110551099256210511055593.3254373504593.325437350425627593.327532322416849.507560661816850.370016850.31JOST'S VALUE = 16849.4622562593.3275323224560.2355124438560.2701518822256216849.507560661817844.775134311617843.6718576383IS THIS THE VIBRATIONAL ORIGIN? (N"=0 TO N'=0)01.1032766733000
2660104910531058only 4000 counts26601049105310582660104910531058593.2961077414593.296107741426607593.298202713516850.34051357716850.37011 or 2?16850.38TANAKA'S VALUE = 16850.372660593.2982027135560.2181927246560.252832163560.296131461266016850.34051357717845.326823811717844.223478921617842.8444896569IS THIS THE N"=0 TO N'=1 TRANSITION?1 or 2?0
266910311035only 4000 counts593.293414205900
277010321042borderline593.263186751800
282810261031only 4000 counts593.245828411800
2853104310481052105710631067Huge triplet because two are overlapping?28531043104810521058106310672853104310481052105810631067593.2383463687593.238346368728537593.240441340816851.981161669816851.99231-0.008838330216852-0.01883833022853593.2404413408560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975285316851.981161669817846.982097003317845.602681353917844.499302353117842.844489656917841.465713510317840.36284600521.37941564941.37877614654.13728759514.13760734654.136967843624.2200278584100.422002785817845.602681353917841.4657135103blue216851.981161669817844.4707617840.33431
2873104510471062106628731047106210662873104710621066593.2323607342593.232360734228737593.234455706316852.151195285516852.112320.041195285516852.150.00119528552873593.2344557063560.2008730054560.3307708994560.3654103379560.2009 may be a doublet?287316852.151195285517845.878547424917841.741451692617840.638550098624.137095732322216852.151195285517840.33431
292410401044borderline593.217097366300
292810221027borderline593.215900239400
301910381042borderline593.188665602600
302310151020borderline593.187468475700
3042103810421048106410691074Huge triplet because two are overlapping, more to the right30421038104210481064106910743042103810421048106410691074593.1817821229593.181782122930427593.18387709516853.588116345416853.554510.038116345416853.59-0.00188365463042593.183877095560.122934269560.1575737074560.209532865560.3480906187560.3913899167560.4346892147304216853.588116345417848.361725919217847.258005723617845.602681353917841.189983850917839.81146338117838.433155920741.10372019561.37852046997.309142205510.55191129210.55184303410.27572965950.27568705167.17174206837.446542342647.5136026052180.41742236717848.361725919217841.18998385097.3098328846180.406101826917847.258005723617839.8114633817.5846203338180.4213677963red416853.588116345417845.5741417838.40462
30711036104010631068Huge3071103610401063106830711036104010631068593.1731029529593.173102952930717593.17519792516853.834713230716853.794520.044713230716853.85-0.01528676933071593.175197925560.1056145497560.1402539882560.3394307591560.3827300571307116853.834713230717848.913637211317847.809848757717841.465713510317840.087150432641.10378845361.37856307777.58531101327.44792370097.7226983251417848.913637211317841.465713510317847.809848757717840.0871504326416853.8347132307
308810181022only 5000 counts593.168015163600
309910351038borderline593.164723064600
310910171021borderline593.161730247400
31691034borderline593.14377334400
3232103310371072107610811044huge32321033103710431072107610813232103310371043107210761081593.1249185954593.1249185954323215593.129407821216855.135843860816855.116710.025843860816855.15-0.01415613923232593.1294078212560.0796349709560.1142744093560.166233567560.4173694955560.4520089339560.4953082319323216855.135843860817849.741568151117848.637677298717846.982097003317838.984453346817837.881892568117836.503883238261.10389085231.102560778710.756449767410.55199663230.55192835850.82701003420.551263352510.757114804310.7557847306610.8368455752260.416801752917849.741568151117838.984453346810.6196081033260.408446465517848.637677298717837.881892568110.7561172336260.4136968167yellow616855.135843860817846.9535517836.47535
323510111016only 4000 counts593.124020750200
32561016only 4000 counts593.11773583400
32731031103510691074SUPERHUGE327310311035104110691074327310311035104110691074593.1126480447593.1126480447327315593.117137270616855.484546984616855.446720.044546984616855.49-0.00545301543273593.1171372706560.0623152517560.0969546901560.1489138478560.3913899167560.4346892147327316855.484546984617850.293564783417849.189605657317847.533922974917839.81146338117838.433155920761.10395912611.378307460310.6192755695210.482101402410.7564497366617850.293564783417839.81146338117849.189605657317838.4331559207616855.484546984617847.50537
3393102810321037104210781083huge339310281032103710411079108310871089339310281032103710411079108310871089593.0767342378593.0767342378339315593.081223463716856.505224410716856.468910.045224410716856.50.00522441073393593.0812234637560.0363356729560.0709751113560.1142744093560.1489138478560.4779885127560.5126279511560.5472673895560.5645871088339316856.505224410717851.121623748417850.017562199717848.637677298717847.533922974917837.055061420517835.952739118617834.850553054217834.299511103381.10406154871.10232230214.065692704510.55208199230.55201370270.5512122480.551144119714.066562327914.0648230812814.0323492102340.412716153217851.121623748417837.055061420514.0669972340.413735211817850.017562199717835.952739118614.0652578727340.4136840551purple816856.505224410717847.5053717848.6091317834.2709817834.82203
34451026103010771081SUPERHUGE344510261030103810771081344510261030103810771081593.0611715882593.0611715882344515593.06566081416856.947556351816856.898920.057556351816856.930.01755635183445593.065660814560.0190159537560.0536553921560.122934269560.4606687935560.4953082319344516856.947556351817851.673705740717850.569575902417848.361725919217837.606273668517836.503883238281.10412983831.102390430314.0665623682214.067432072214.0656926642817851.673705740717837.606273668517850.569575902417836.5038832382816856.947556351817848.33318
35261024102810861090only 4000 counts352610241028103610381086109010961100352610241028103610381086109010961100593.0369297686593.0369297686352615593.041418994416857.636619660316857.59101110.046619660316857.65-0.01338033973526593.0414189944560.0016962345560.0363356729560.1056145497560.122934269560.5386075299560.5732469684560.625206126560.6598455644352616857.636619660317852.225821882617851.121623748417848.913637211317848.361725919217835.126086799417834.024002896817832.371132397717831.2693889315101.10419813421.102083902617.098677967410.82823825020.82813579440.55109303180.826550157417.099735083217.09762085161017.2357715623420.410375513417852.225821882617835.126086799417.2383076924420.410435897417851.121623748417834.024002896817.09841367420.4071050874green1016857.636619660317848.3331817848.8850917831.2408717832.34261
35711025only 4000 counts593.02346209100
35951022102510841088SUPERHUGE359510101014102110251045104910611066108410871096359510211025108410871096593.0162793296593.0162793296359515593.020768555516858.223643950616858.2101120.023643950616858.210.01364395063595593.0207685555559.9757166557560.0103560941560.5212878107560.5472673895560.625206126359516858.223643950617853.054060132817851.949759542817835.677179831217834.850553054217832.3711323977101.104300590.826626776917.2380433951217.376880301617.09920648851017853.054060132817835.677179831217851.949759542817834.85055305421016858.223643950617832.34261
366810121017102210311035only 4000 counts366810121017102210311035110311073668592.9944317638592.9944317638366800
3684101810221058106210911096only 6000 counts3684101810221058106210911096110011053684101910221091109511001105592.9896432562592.9896432562368415592.99413248216858.9808805878121313684592.994132482559.9583969365559.9843765153560.581906828560.6165462664560.6598455644560.7031448624368416858.980880587817853.606261662417852.777972177217833.748503202417832.646589537617831.269388931517829.892401029120.82828948521.377200606221.234127685310.276113574900.55093981051.101743466320.959672124821.50858324581220.604475838500.412089516817853.606261662417832.646589537620.822259007500.416445180117852.777972177217831.269388931520.9577115126500.4191542303blue1216858.980880587817829.8638817831.24087
372710181022109310963727101810221092109637271018102210931096592.9767741421592.9767741421372715592.981263367916859.34676086516859.3121320.04676086516859.330.0167608653727592.9812633679559.9497370769559.9843765153560.5992265472560.625206126372716859.34676086517853.882375237317852.777972177217833.197529348217832.3711323977121.10440306010.8263969504220.684845889120.40683977951217853.882375237317833.197529348217852.777972177217832.37113239771216859.346760865
379710151018105810623797101510181058106210851090110011053797101510181085109011001105592.9558244214592.9558244214379715592.960313647216859.942413891316858.8114151.132413891316859.930.01241389133797592.9603136472559.9237574981559.9497370769560.5299476703560.5732469684560.6598455644560.7031448624379716859.942413891317854.710767206817853.882375237317835.401629058317834.024002896817831.269388931517829.892401029140.82839196951.376987902523.715676241823.441378275423.98997420831417853.882375237317829.892401029red1416859.9424138913
383010131016only 4000 counts592.9459481245
4594.091The above separation isAboveAbove fine splitting results do not show aSpacing values not very consistent.ave =ave =ave =
5016592.591relatively constant with aisconsistent trend where the splitting isValues for series 3 and 4 > values for series 1 &20.41523468150.41101488430.4131263383
101710221031103511031107value of roughly 1 cm-1uselessrelated to N".Not sure why.but it could be related to the distorted X shape(Zare and Tanaka's are 0.422.stdev=stdev=
average =average =for the separation between(compression of the X as the w4 wavelength decreases; a sign of vibration-rotation interaction?)Perhaps they also have higher order terms).0.00376196860.0044905101
0.09174853570.0153485357the two X's.Plot is above
ave without end vals:0.0483874792stdev =0.0294636273It shows that B' decreases with N", which is probably
Recall that 1 pixel is roughly 0.3 cm-1a sign of centrifugal distortion
wavelength accuracy of scanmate is 5PMIf that is the case, then the value of B'=0.422 for the lower N"=2 might be better
which is roughly 0.15 cm-1which is more consistent with Zare's and Tanaka's values
above deltas are both within the accuracy of the scanmate
(Repeated OGE scans on 110907d3 indicates a total dye laser deviation of 3pm during repeated short runs with MES)Measured
Therefore, accuracy is specified to within 5PM after correction by OGE (due to mechanical reproducibility of DL)VIBRATIONAL ORIGINS:
16849.507560661817844.7751343116is this a vibrational origin?
wavelength accuracy of 821 is 1PM17843.6718576383
which is roughly 0.03 cm-1
Tanaka delta is within accuracy of the 821
Literature values from Jost 1995:
16849.46217843.646
17842.578
Although Zare's paper has more quantum numbers,from Zare:
our results generally agree better with Tanaka's work.16849.48
Our results deviate from Zare's strongly for N'=15 (both P and R)From Tanaka::
16849.502
Tanaka's paper indicates the error is to within 1GHz (0.03 cm-1)But the accuracy of the Jost values is better than that for Tanaka and Zare: ring laser vs. pulsed; better wavemeter
Zare's paper indicates accuracy is to within 0.1 angstroms (0.3 cm-1)DELTA in cm-1
0.04556066181.1291343116
1.0938576383
DL error is around 1.5PM; within tolerance of DL and close to that of 821
Mchr error is less than 0.01 nm; within expected tolerance
(Observed mchr reproducibility and accuracy is usually +/- 20 pm)
Using the 821, usually observe that the OGE resonance is 2-4 pm higher than the literature valueThe two new X's do not show sign of centrifugal distortion
Could the new vibrational origin be RECARS?
Take the difference between w3 and w4:
995.2675736498cm-1
Is there a vibration with this frequency?
No they are at 750, 1325, and 1633 cm-1
Difference between our vibrational origin and Jost's is 0.046 cm-1.
The step size of the Dl was 0.0003 nm, which is roughly 0.01 cm-1
Therefore, disagreement corresponds to 4-5 step sizes.
Ours might be better because ours is a direct measurement
Note also the disagreement between the Zare, Tanaka, and Jost vibrational origins.
Sheet1
101610191058106211011105
102710311078108211711171
121212121063106612121212
102110251051105510951099
101810231051105610931097
102910341070107513271327
102710311063106614241424
102410281039104310871091
102210261046105010861089
102910321042107910831090
102710311038104210771081
103110351794179417941794
101410171057106118221822
102610311875187518751875
102310261085108919391939
101910231944194419441944
103310371044107210761082
103110351070107419851985
103910431048106510691074
103710401068107321832183
104310481052105810631067
104710521063106623702370
106110652480248024802480
252825281052105625282528
105110552562256225622562
104910531058266026602660
103110352669266926692669
103210422770277027702770
102610312828282828282828
104310481052105710631067
104510471062106628732873
292410401044292429242924
102210272928292829282928
103810423019301930193019
101510203023302330233023
103810421048106410691074
103610401063106830713071
101810223088308830883088
103510383099309930993099
101710213109310931093109
103431693169316931693169
103310371072107610811044
101110163235323532353235
101632563256325632563256
103110351069107432733273
102810321037104210781083
102610301077108134453445
102410281086109035263526
102535713571357135713571
102210251084108835953595
101210171022103110353668
101810221058106210911096
101810221093109637273727
101510181058106237973797
101310163830383038303830
Sheet2
101610191059106211011105103710371037103710371037
102110241095109911061109123212321232123212321232
101810231051105610811085109210971097130013001300
102410281039104310871091109611001100149114911491
102210261046105010851089109615441544154415441544
102910321036104210791083109017391739173917391739
102710311038104110771081108817811781178117811781
103310371044107210761082195419541954195419541954
101210561100103210351071107319851985198519851985
102410301039104310481065106910741074216221622162
103710401068107321832183218321832183218321832183
104310481052105810631067236323632363236323632363
104710631066237023702370237023702370237023702370
105110551099256225622562256225622562256225622562
104910531058266026602660266026602660266026602660
104310481052105810631067285328532853285328532853
104710621066287328732873287328732873287328732873
103810421048106410691074304230423042304230423042
103610401063106830713071307130713071307130713071
103310371043107210761081323232323232323232323232
103110351041106910743273327332733273327332733273
102810321037104110791083108710891089339333933393
102610301038107710813445344534453445344534453445
102410281036103810861090109611001100352635263526
101010141021102510451049106110661066108410871096
101210171022103110351103110736683668366836683668
101810221058106210911096110011051105368436843684
101810221092109637273727372737273727372737273727
101510181058106210851090110011051105379737973797
Sheet3
111111
11111111111
11111114716716716716716716716716716
10161019110111051037103710371037103710371037
10211024109510991106110912321232123212321232
10181023109210971300130013001300130013001300
10241028108710911096110014911491149114911491
10221026108510891096154415441544154415441544
10291032103610421079108310901739173917391739
10271031103810411077108110881085178117811781
10331037104410721076108219541954195419541954
10321035107110731985198519851985198519851985
10391043104810651069107421622162216221622162
10371040106510681073218321832183218321832183
10431048105210581063106723632363236323632363
10471063106623702370237023702370237023702370
10511055256225622562256225622562256225622562
10491053105826602660266026602660266026602660
10431048105210581063106728532853285328532853
10471062106628732873287328732873287328732873
10381042104810641069107430423042304230423042
10361040106310683071307130713071307130713071
10331037104310721076108132323232323232323232
10311035104110691074327332733273327332733273
10281032103710411079108310871089339333933393
10261030103810771081344534453445344534453445
10241028103610381086109010961100352635263526
10211025108410871096359535953595359535953595
36683668366836683668366836683668366836683668
10191022109110951100110536843684368436843684
10181022109310963727372737273727372737273727
10151018108510901100110537973797379737973797
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0000
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
N"
B'
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
00
N"
B'
Here are all of them:
(points greater than 2500 for the Zare identified exposure numbers)
Exposure numberPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeight
716970343797542841111390411144435
1038101635441019386810596191106266371101667211057480
1232102128701024292010954391109947921106246211092849
13001018860610231027010513850105637061081391610854414109220867109725105
1491102444421028509410394930104333681087200231091194931096640111007335
1544102214792102615864104687121050963410854811610894885410965665
1740102914048103215643103656611042667010791648110831945310907268
1781102712482103113170103851821041465910772415310812962210884169
19541033766510378266104436321072866210761346110829504
198510123072105629221100248510328423103592351071918310739928
216210242928103030621039378010435721104847321065552510691057710747482
218310375514104063911068552110733781
2363104338811048621310524037105839701063783310675227
2370104727151063345710662674
2562105161141055601310993694
285310439851104818993105211308105829931063579710674239
2873104774181062520410664475
3042103811681104219197104813982106453371069983510746822
30711036150471040176981063322810684229
3232103320504103720842104384931072691510761082010817260
327310313037210353185110414486106910821107412480
33931028200321032225721037776610418242107999981083995410894376
344510264156110304271210386181107714772108115129
35261024419610274519103631781038316710873929109044011096248911002467
359510105036101459981021281211025334431045434510494610106129731066340810842116110872189610964590
372710188641102296571092652810967507
37971015606110187277105840521062451710852464109027271100389611054722
NEXT, REMOVE ALL THAT ARE BELOW 7000
Exposure numberPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeight
10383544386810596191106266371101667211057480
123228702920109543911099479224622849
1300101886061023102701051385010563706391610854414109220867109725105
14914442102850941039493033681087200231091194931096640111007335
1544102214792102615864104687121050963410854811610894885410965665
1740102914048103215643103656611042667010791648110831945310907268
1781102712482103113170103851821041465910772415310812962210884169
1954103376651037826636321072866210761346110829504
198530722922248510328423103592351071918310739928
216229283062378010435721104847321065552510691057710747482
2183551410406391106855213781
23633881104862131052403739701063783310675227
2562611460133694
28531043985110481899310521130829931063579710674239
287310477418520410664475
3042103811681104219197104813982106453371069983510746822
3071103615047104017698322810684229
3232103320504103720842104384931072691510761082010817260
327310313037210353185110414486106910821107412480
33931028200321032225721037776610418242107999981083995410894376
344510264156110304271210386181107714772108115129
35955036599810212812110253344310454345104946102973340810842116110872189610964590
372710188641102296571092652810967507
3797606110187277105840521062451724642727389611054722
All points
Points above 4000
Problem: some of the unwanted peaks are above 6000, but eliminating all peaks below 7000 removes some important peaks from the X.
So the strategy should be to include all of the ones above 2500, but then to eliminate based upon the following:
1) position along the X
2) ability to find other 3 partners
3) anticipated spin-rotation coupling
4) expected box sizes and positions (due to the presence of two adjacent X's).
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
000000000000
11111111111
Analysis of 072307d2f.datoriginal designation on sheet 1Conclusion:
Only exposures 700-4000when comparison with Zare conductedK=1 and 2 are not clearly and consistently seen in the CDRES spectrum
PURPOSE: LOOK FOR K=1 AND K=2 SUBBANDSbefore comparison with Tanakawhen a threshold of 2500 is used.
Below are all peaks above 2500 counts1.0002724
etalonConvertUSE TANAKAUSE ZAREN"N'F
blocktoN" FOR SUBBANDonly for
exposurecorrectionwavelengthwavenumberK=0K=1K=2K=1
716593.877911412616833.8922019103161615
862593.834216280916835.130862661718
910593.819850758216835.5381334106
1037593.781841979216836.61579898041414132
1171593.741738228316837.7530130319
1212593.729467677616838.1009972787
1232593.723482043116838.27075091141212111
1300593.703130885916838.84793886541212112
1327593.695050279316839.077127410611
1424593.666019952116839.900559951
1491593.645968076616840.4693696585101091
1544593.630106145316840.9193508278101092
17397593.573841181216842.51570440128871
17817593.561271348816842.87237794088872
17947593.557380686416842.982779955210
18227593.549000798116843.220573824977
18757593.533138866716843.6707020338
19397593.513984836416844.2142851467
19447593.512488427816844.256754055
19547593.509495610516844.34169251416651
19857593.500217877116844.6050071816652
21627593.44724501216846.10860669494431
21837593.440960095816846.28701767094432
23637593.387089385516847.8164096373221
23707593.384994413416847.8758916011221
24807593.352073423816848.8106633366
25287593.33770790116849.2185962382
25627593.327532322416849.507560661800
26607593.298202713516850.340513577001
26697593.29550917816850.41701338180Not sure about this one; w4 value looks like it is in the wrong place. Therefore, agree with Zare but not Tanaka
27707593.265281723916851.2755588297
28287593.247923383916851.7686244752
28537593.240441340816851.9811616698223
28737593.234455706316852.1511952855223
29247593.219192338416852.58479653643
29287593.217995211516852.618805421333
30197593.190760574616853.39254463644
30237593.189563447716853.4265567815
30427593.18387709516853.5881163454445
30717593.17519792516853.8347132307445
30887593.170110135716853.979273380655
30997593.166818036716854.0728136225
31097593.163825219516854.15785110715
316915593.148262569816854.6000598603
323215593.129407821216855.1358438608667
323515593.128509976116855.161358234377
325615593.122225059916855.339961011677
327315593.117137270616855.4845469846667
339315593.081223463716856.5052244107889
344515593.06566081416856.9475563518889
352615593.041418994416857.6366196603101011
357115593.027951316816858.0194569518
359515593.020768555516858.2236439506101011
366815592.998920989616858.8447431432