MICROWAVE SPECTRA, STRUCTURE, AND INTERNAL DYNAMICS OF $CO_{2}-BF_{3}$

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The previously described low resolution microwave spectrum1 of CO2BF3 has been examined at high resolution, and additional transition of the complex have been observed. Spectra were recorded for the 10BF3C16O2,11BF3C16O2,10BF3C18O2, and 11BF3C18O2 isotopic derivatives, and all are well fitted using a simple symmetric top Hamiltonian with anomolously large values of DJK. The vibrationally averaged distance between the centers of mass of the monomer units is 3.76\AA, and the average angle between the C3 axis of the BF3 and the a-axis of the complex is 18. Application of the standard intertial analysis gives an unphysical valye of 80 for the average B-C-O angle, indicating extremely large amplitude motion in the complex. The previosly reported1 radio-frequency spectrum is tentatively attributed to a low lying degenerate bending state, the presence of which in the molecular beam suggests a very soft bending potential for the CO2 subunit.

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  1. K.R. Leopold, G.T. Fraser, and W. Klemperer, J. Am. Chem. Soc., 106, 897 (1984)

Author Institution: University of Nevada, Reno, Reno, NV 89557; University of Minnesota, Minneapolis, MN 55455; NIST, Gaithersburg, MD 20899; Harvard University, 12 Oxford St., Cambridge, MA 02138

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