MICROWAVE SPECTRA, STRUCTURE, AND INTERNAL DYNAMICS OF $CO_{2}-BF_{3}$
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Date
1995
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Ohio State University
Abstract
The previously described low resolution microwave $spectrum^{1}$ of $CO_{2}-BF_{3}$ has been examined at high resolution, and additional transition of the complex have been observed. Spectra were recorded for the $^{10}BF_{3}-C^{16}O_{2}, ^{11}BF_{3}-C^{16}O_{2}, ^{10}BF_{3}-C^{18}O_{2}$, and $^{11}BF_{3}-C^{18}O_{2}$ isotopic derivatives, and all are well fitted using a simple symmetric top Hamiltonian with anomolously large values of $D_{JK}$. The vibrationally averaged distance between the centers of mass of the monomer units is $3.76 \AA$, and the average angle between the $C_{3}$ axis of the $BF_{3}$ and the a-axis of the complex is $18^{\circ}$. Application of the standard intertial analysis gives an unphysical valye of $80^{\circ}$ for the average B-C-O angle, indicating extremely large amplitude motion in the complex. The previosly $reported^{1}$ 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 $CO_{2}$ subunit.
Description
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
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