The rotational spectrum of the syn conformer of vinylphosphine from 8 to 250 GHz has been measured. The assignment was based on ab initio calculations performed at the MP2 level using the 6-311G (2d, p) basis set. Rotational and centrifugal distortion constants up to the sextic terms were determined
Rotational Spectrum, Molecular Constants, Dipole Moment, and Internal-Rotation in Vinylphosphine
β Scribed by P. Drean; M. Leguennec; J.C. Lopez; J.L. Alonso; J.M. Denis; M. Kreglewski; J. Demaison
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 649 KB
- Volume
- 166
- Category
- Article
- ISSN
- 0022-2852
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β¦ Synopsis
The rotational spectra of both (\mathrm{CH}{2}=\mathrm{CHPH}{2}) and (\mathrm{CH}{2}=\mathrm{CHPD}{2}) have been measured from 8 to (320 \mathrm{GHz}). Rotational constants, centrifugal distortion constants, and dipole moment components have been determined. Only the gauche form (dihedral angle of (118.6^{\circ}) between the lone pair of phosphorus and the (C=C) bond) was found. With assumed bond lengths and bond angles for the vinyl part, the remaining structural parameters have been derived by fitting them to the six rotational constants. Structural results are compared with those of other phosphine derivatives. Internal rotation between two equivalent gauche configurations of (\mathrm{CH}{2}=\mathrm{CHPH}{2}) causes splittings of (\mu_{c}) transitions, which have been analyzed using the phenomenological group-theoretical Hamiltonian. (c) 1994 Academic Press, Inc.
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