Microwave spectrum, torsional frequency and barrier to internal rotation in phenylboron difluoride
- 1 January 1974
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 70, 1953-1958
- https://doi.org/10.1039/f29747001953
Abstract
Microwave spectra of the ground and first three excited torsional states of C6H5 11BF2 and for the ground and first two excited torsional states of C6H5 10BF2 have been assigned. The variation of the inertial defect with torsional quantum number shows the molecule to be planar. The torsional frequency has been determined as ν= 49 cm–1 and the barrier to internal rotation as Y2= 1114 cm–1(13.3 kJ mol–1). With the assumption of a regular benzene ring (rC—C= 1.397 Å and rC—H= 1.084 Å) the geometry of the rest of the molecule is calculated to be rC—B= 1.551 Å, rB—F= 1.330 Å and FBF = 116.0°.Keywords
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