MICROWAVE SPECTRUM AND STRUCTURE OF $HCN-BF_{3}$

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1992

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Ohio State University

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Rotational spectra of the complex HCNBF3 have been observed using pulsed nozzle Fourier transform microwave spectroscopy. Spectra have been observed for the 11B and 10B species with both HC14N and HC15N, and the hyperfine structure analyzed. The complex has the expected C3v structure, with the nitrogen end of the HCN toward the boron, but the observed BN bond length of 2.54(6) \AA is notably shorter than that in the related weakly bound systems N=NBF3 and N=CC=NBF3. We compare the structure, energetics, force constants, and quadrupole coupling constants of the complex with those of other species formed from BF3 and nitrogen donors and extend our previous discussion(1) of gas phase structure correlations as a means of mapping reaction paths for simple chemical transformations.

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  1. (a) M.A. Dvorak, R.S. Ford, R.D. Suenram, F.J. Lovas and K.R. Leopold, J. Am. Chem. Soc., 114, 108 (1992); (b) M.A. Dvorak, R.S. Ford., R.D. Suenram, F.J. Lovas and K.R. Leopold, 46th International Symposium on Molecular Spectroscopy, June 1991, paper FA9

Author Institution: Department of Chemistry, University of Minnesota; Molecular Physics Division, National Institute of Standards and Technology; Department of Chemistry, University of Minnesota

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