Waveguide Chirped-Pulse Fourier Transform Microwave Spectroscopy of Allyl Bromide Morgan McCabe and Steven Shipman

The Spectrometer 1 2 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 / G(d,p), not zero point corrected

Properties of Bromine Two isotopes, 79 Br and 81 Br ~50/50 of each isotope Nuclear spin of 3/2 for both isotopes

Allyl Bromide Full Spectrum *

GHz

A closer view

GHz *

A closer view

Ground State a) Y. Niide, M, Takano,T. Satoh, and Y. Sasada J. Mol. Spectrosc., 63, 108(1976)

Vibrationally Excited States ~110 cm -1 ~247 cm -1 ~386 cm -1

ν 21 =1 a) Y. Niide, M, Takano, T. Satoh, and Y. Sasada J. Mol. Spectrosc., 75, 87(1979) * Taken from ground state values

ν 21 =2 a) Y. Niide, M, Takano, T. Satoh, and Y. Sasada J. Mol. Spectrosc., 75, 87(1979) * Taken from ground state values

Residuals

Conclusions and Future Work The ground state and v=1 and v=2 excited states of ν 21 were found and fit 916 out of 2579 (35%) peaks assigned Look for – v=3 for ν 21 – v=1 ν 20 – cis (maybe with more averaging)

Acknowledgements Lauren Bernier, Erin Kent, Suzanne Setti, Kenny Wang, Robert Hincapie, Taylor Sweet, Anastasia Edsell, Steve Shipman