K. Iijima, S. Shibata
Mar 1, 1979
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0
Influential Citations
20
Citations
Journal
Bulletin of the Chemical Society of Japan
Abstract
The molecular structure of trimethylamine-boron trifluoride (CH3)3N·BF3 was determined from gas electron-diffraction data with vibrational and rotational spectroscopic data. The geometric parameters of the molecule were found to be very close to those inferred from the preliminary analysis of the diffraction data alone. The structural parameters and uncertainties were rg(N–B)=1.674(4) A, rg(B–F)=1.374(2) A, rg(C–N)=1.485(2) A, rg(C–H)=1.100(3) A, rg(F…F)=2.288(2) A, and rg(C…C)=2.420(4) A. The potential barrier about the N–B axis was estimated to be 4.3±0.3 kcal/mol in the gas phase; this value is much larger than that from NMR spectra.