C3 MNR and Xray

8/21/2019 C3 MNR and Xray

1/15

8.58. 0

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4000.0 3000Polystyreneilm'PE08203'2-Aug-13

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2000 cm*tI 500 1000 450.0


2/15

HandoutPor8G170?9r antc FTI NMI.I,\[PORTANTF,orabgroupshonoedosubmitoRvIAL BFBORTpleasenclude nswe$othet:l*gul

bonusquest ellg*tggIR SpectroscoPY:

l. CanIR spectxoscopy e used ot utt tinOt pf * t"t$ffi

*l tffilTJff$*ose ofapplyingmagneticietd uringMR pectroscopv?2. Discuss bout2 factors hatcan.orrt lbut" to theshieldingn H-NMR'

Info source:httP l/www,chem'uqal . ca/cour$_es/3o/carey/qh13 ffi

r Involvesheexcitationof bond vibrationswithin thatmoleculeby absorption f infrared adiation'Vibrationsnclude tretchingmd hendingmodes'. Usually plitan R spechumntotwo approxlryrateegions:

nfra-Red ectrosco


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2. For heavieratoms.attached larger k value), u clecreases.Asexampresf his,norcreriiiiunrir{r"rroruiiiirrcomparc:C-H 3000m-r)C-C 1000m-r)C-Ct S00 m-r)

fihcuftelre {qto

t|rm tgolEtnp.rnurbans /crr-l'l' ,'

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IM

i:h -r

tthlDbrnlsog.ClCclN

ft$tbnralsi l torbb Ibordr 1JJF'o-nl()'C I

mlro w aDsorpuonsBase StrengthIi rtil ti


4/15

tH"

+ffft ffigm*ByntlI t t l l -t f ,a taII I I+ Ntlr l lTXIIIEt l l lv otIAII

d'ifiBfr. , , . . tr tlal

?TIITT.-rr.H{Fl-FFtttlr t

ttfft-+fi+FLowmffsr 1-&ssxqdiab*-- -*---*--: --- ---------**-*-*Ground$rtg _.-* **-* I{EHLTEIE--_* * ** *--:-=:=:;--'---":-.-=tup-tutasonfrlstren^4lt{^T::fr{A*"etiefr 'etd'Itisusuallvsmatfwrdiorrespondso the radiofrequencytange of theEM spectrum'silrua, qN wt. etl'v.a\stonger magneticield increas* Gyn*utiqn of-e:rergies f thespin states, ndthereforesodoes henequJncyequiiedocausehespin-flip'only EMenergy quivalento theenergy ifference etweenhenuclear pinstateswill beabsorbedthustheterm"Feasonance".

Ipterp,rettingIH'NMR SI ectrqIIow many ypesof H ?What typesof H ?

To* manyH of each YPeare there?

Indicated y howmanygroups f signalsherearen thespechaIndicatedy thechemicalhift(6)ot each roupIndicate


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c Tlteareaof opeak isproportion l to thenwnbe, of E tbathepeak epresenrs The ntegralmeasuresheareaof thepeakand giuo trr. rehtivi rotioif thenumber f H for eachpeakCoupling##ffi:T. t- "o -pJ 9t:i :-g.sletu-ep. elslbessrs".sbessfpns,.sssssgthe-nsrelxg-Alsoknownassignalmultiplicity or splitting.

--.- 4le*pls

fntegration

Based ntheoutlinegivenabove he bur setsof informationwe getare: ' 0 ppmr J basiclpesof H presentn the atioof 5 :2 : 2 :2 :3.


6/15

acefyl'sali,cYlate

22zge6r lgl6t4t2t0E

t

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7/15

Sal icyl ic Acid 1H NMR

11 10t li=l

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p-r lJ') tf) -r f- CA O\ O (l) C-. tf, cn \Or- \f oo oo tn cf) c{ oo rn (\l o\ \o \f, c\tO\ O\ rn (n tn rn tn C\ c, c' cl\ c|\ cr\ Cr\C- [*- f- [.- f- t-l. [-- f- [-- f- \O \O aO \ONt/ / , , , ,

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Current Data ParametersNAI,{E Sal icyl ic AcidEXPNO 44PROCNO 2F2 Acquisi t ion ParametersDate 2005082 4Time- 11- 33INSTRUM spectPROBHD 5 mm PABBO BB-PULPROG zg30TD 65536SOLVENT CDCI3NS 1DS OSt{H 6172 .839 HzFIDRES 0.094190 HzAQ 5.3084664 se cRG 25 6DW 81.000 usecDE 6.00 usecTE 296 .5 KDl 1.00000000 se cTDO 1:=:=,====NUCP1PL lSFO l

CHANNEL 1 =:====::1H8 .50 usec-3.00 dB300.1"318534 MH z?2SISF90DWSS BLBGBPC

Processing parameters327 68300. 1300000 MH zno00.00 Hz0i .00

7654321ppmf=l=lI


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CBE, 2nd ear

Synthesisand chara ctertzationof aspirin

Thereaction:

Figure1:NMRSpectraf salicylicacid,aspirinandarepresentativetudentproduct '

roH \ ,OHl_^,qi9,*l.9?tlLYqrl$P, p\fo*r'$HuV8$aficyllcasid acetylsalricyli,ccid


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r,Ia

122 Nuclear Magrletic ResonanceSpectroscopy Part One: Basic ConceptsTABLE 3.4APPROXIMATE HEMICAT HIFTRANCESPPM)FORSETECTEDYPES F PROTONSAR-CH3R-CH3-RR3CH

0.7 L.31.2 1.41.4 7.7

IR_N-C_Hll ,IR_S-C-HI

II*C-HI

IBr-C-HIICI-C-HI

of tlR-S-O-C*Hil lot lRO-C-Ir. HO-C-Ht l

ioil tR-C-O-C-HI

2.2 2.9

2.4 3.0

2.4 4.0

2.7 4.1

3.1 4.1

ca.3.0

3.2 3.8

3.5 4.8

ooi l t fl lR-C-C-H, H-C-C-Hflooi l t tf lRO-C-q-H, HO-C-C-Hll

tl lR-C:C-C-HI

1.6 2.6

2,r 2. 4

2.1 2.s

2.1 3.0'o

. | ; . . .4.2.3 2.7Ic-EI


10/15

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1983.73

qAs

3238.50 286133

bN.cr{tc89.2..II85iIis0i

ii75)IIi

7o ii6sJ

532.7

A;rt Irlil i;l i :it :ii i loeoli ilil,Iii rii irl.ii i

I r l:Ittt ii i i i lri I riiiiili t i ir l i ii i i ii i iiI i ill it i| | rIi r I i ii l . i ii i i : i i

i i i i i l l li i i i i i i ii i i i r i ii i i i i lI 1ilqe.eti i l l r i; l i i l ii| | li ; i i i li i i i i li i i li i i i iit il it i i ii i i l s6.66l l l lt: t iii uil lll Ii 1iD .oori.84ii

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Date:8l26l2005Time::15:10 Mcm-1800000404


11/15


12/15

Name: Yew ChuanF\:fn. 1a 1n .)n1?VOLU. LL. lV. LW LJGroup No. : 15slolF.-1 OrO@C{r{LOLOOOrJ r-l r-l r-l \O \O \g (tO =if' siF Cn Ol OO N 11 r-{ r{ r-{

l*\ i l i*ii # l l t r r i i${ ll f f i i i id i i i i

Date'r'].meINSTRUMPUTPROGTDSOLVENTNSDSSWHFI DRESAQRGDWDETED1TD O

NUC 1P1PL 1SFOl

z93055536CDCl3I626712.839 Hz0. C94190 Hz5. 30 84660 se cB12 .' l81.000 usec6.00 usec296.6 K1.00000000 se c1F1Ll- 1H9.10 usec-3.00 dB

\r W8.0 7"8 7.6 7.&

r\ L: A \1\T El T\- I rl-\l \ l \ IJ

3C0.l-318534 MH zF2 Processi-ng parameterssr 321 68SF 300.1300000 MH zWDW NOSSB CLB 0.00 HzGB OPC 1.00

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ls l ilvii xli f f i iat*Yhr i*\ ;\ie iq iql t \ i iq ii f f iF ft$ f f iF if f i i i {p i

1& t3 12, ts ppm


13/15


14/15

NiamelJ.= 1- cr ./r4\?\_,.

aCetyl .*5ai :-cyi :c ecj-d22. i0.2CL3G cuc ldc . :Ol ana{ i-- ss@6rrF-Ct(\a C\ f-- j ) .J)mN\if ' .$\ i"$jCO>

r- r-- ri r-{ \C \g (-C \iJ S s:' (-l 3l r.-r r{ r-i r-i r-i

li irililI t , { | il*-t--J

:**ia il c l i'a o |l;t=+)iq i iq ii r - : i c} i

lr - {- ,riJd. Lg'.i"'j-ineINSTRUMPROtsHPUtPR.OGTNSCi,VANTt\ f i

ilSq tii FirI DRNSaQDWDETTDiTD O .,1 f lf \ "i\ UL. .LP1] .1 t 5

SFOi

: r i3 i0t0l .6. . l -0sPect5 irun PABIIQ BB-zg3065536CNCI3i62'r ,3.12.839F'^z). S94190 Hz5.3084660 se c36 281.0006. 00296.6i . cc00000c

II

usecus ecse c

t l - iAl;NEt f I ==:==*:::*1H9. 70 usec-3. 00 dB3i lc. i318534 Ml iz,i t i Il i i lvtJ UL

:tSISTWD Wi )b11LtsGE

Frc'cess nE paraneters32768300. i300000 MH znr\llv

t"\UC.00 Hz

t\V1 n /-\r. UU.6 7. 4 ppm

1, I s,i*i i*ti* * i iviiqe * i

32frr,,,,Jh)is in-* l#iic is. i i t : l i

t4 r3 12 10 pp m


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C3 MNR and Xray

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