MICROWAVE SPECTRUM AND STRUCTURE OF $HCN-BF_{3}$
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Date
1992
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Publisher
Ohio State University
Abstract
Rotational spectra of the complex $HCN-BF_{3}$ have been observed using pulsed nozzle Fourier transform microwave spectroscopy. Spectra have been observed for the $^{11}B$ and $^{10}B$ species with both $HC^{14}N$ and $HC^{15}N$, and the hyperfine structure analyzed. The complex has the expected $C_{3v}$ 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 $N=N\equiv BF_{3}$ and $N=C-C=N-BF_{3}$. We compare the structure, energetics, force constants, and quadrupole coupling constants of the complex with those of other species formed from $BF_{3}$ 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.
Description
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
Author Institution: Department of Chemistry, University of Minnesota; Molecular Physics Division, National Institute of Standards and Technology; Department of Chemistry, University of Minnesota