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

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The Spectrometer 1 2 3

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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

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

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Allyl Bromide Full Spectrum *

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8.7-18.0 GHz

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A closer view

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18.0-26.5 GHz *

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A closer view

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

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

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

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

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Residuals

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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)

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

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