Waveguide Chirped-Pulse Fourier Transform Microwave
Spectroscopy of Allyl Bromide Morgan McCabe and Steven Shipman
Slide 2
The Spectrometer 1 2 3
Slide 3
Allyl halides MoleculePercentage of cis 1 Ab initio 2 Allyl
Fluoride35%22 cm -1 Allyl Chloride16%376 cm -1 Allyl Bromide3-5%715
cm -1 Allyl Iodide0%1075 cm -1 1 R. E. Rondeau and L. A. Harrah, J.
Mol. Spectrosc. 21, 332 (1966). 2 B3LYP /6-311++ G(d,p), not zero
point corrected
Slide 4
Properties of Bromine Two isotopes, 79 Br and 81 Br ~50/50 of
each isotope Nuclear spin of 3/2 for both isotopes
Slide 5
Allyl Bromide Full Spectrum *
Slide 6
8.7-18.0 GHz
Slide 7
A closer view
Slide 8
18.0-26.5 GHz *
Slide 9
A closer view
Slide 10
Ground State a) Y. Niide, M, Takano,T. Satoh, and Y. Sasada J.
Mol. Spectrosc., 63, 108(1976)
Slide 11
Vibrationally Excited States ~110 cm -1 ~247 cm -1 ~386 cm
-1
Slide 12
21 =1 a) Y. Niide, M, Takano, T. Satoh, and Y. Sasada J. Mol.
Spectrosc., 75, 87(1979) * Taken from ground state values
Slide 13
21 =2 a) Y. Niide, M, Takano, T. Satoh, and Y. Sasada J. Mol.
Spectrosc., 75, 87(1979) * Taken from ground state values
Slide 14
Residuals
Slide 15
Conclusions and Future Work The ground state and v=1 and v=2
excited states of 21 were found and fit 916 out of 2579 (35%) peaks
assigned Look for v=3 for 21 v=1 20 cis (maybe with more
averaging)
Slide 16
Acknowledgements Lauren Bernier, Erin Kent, Suzanne Setti,
Kenny Wang, Robert Hincapie, Taylor Sweet, Anastasia Edsell, Steve
Shipman