Ab initio SCF-MO calculations of the electronic structures of PH3, PF3 and PMe3
- 1 January 1970
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Transactions of the Faraday Society
- Vol. 66, 2401-2407
- https://doi.org/10.1039/tf9706602401
Abstract
Ab initio SCF-MO calculations of the electronic structures of PH3, PF3 and PMe3 are described using a minimal basis and one expanded by including 3d orbitals on the phosphorus atom. The results are used to discuss the nature of the P—X bonds and are compared with experimental dipole moments and ionization potentials.Keywords
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