An ab initio study of the bonding in phosphine borane, trifluorophosphine broane and trifluorophosphine oxide
- 1 January 1971
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc. A
- p. 664-667
- https://doi.org/10.1039/j19710000664
Abstract
Ab initio SCF–MO calculations on PH3BH3, PF3BH3, and PF3O are described. In the borane complexes, the predominant mode of bonding involves σ-donation from the phosphine with very little π-back-bonding. In the oxide, both σ-donation and π-back-bonding are important, the latter involving to a large extent the 3d-phosphorus orbitals.Keywords
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