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

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Presentation on theme: "Waveguide Chirped-Pulse Fourier Transform Microwave Spectroscopy of Allyl Bromide Morgan McCabe and Steven Shipman."— Presentation transcript:

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

2 The Spectrometer 1 2 3

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

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

5 Allyl Bromide Full Spectrum *

6 8.7-18.0 GHz

7 A closer view

8 18.0-26.5 GHz *

9 A closer view

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

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

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

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

14 Residuals

15 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)

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

17


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