Bonding in the P(PH3)2 and N(PH3)2 Cations. An ab initio Study
Open Access
- 1 September 1985
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung B
- Vol. 40 (9) , 1149-1151
- https://doi.org/10.1515/znb-1985-0909
Abstract
Ab initio SCF calculations at a double-ζ level were perform ed on the cations N(PH3)2 + and P(PH3)2 +. Although both structures are isoelectronic, their bonding situation is different. The latter corresponds to a dipolar structure (phosphide) with considerable negative charge at the central phosphorus atom. The d-orbitals contribute to bonding as polarization functions rather than participate in hybridization.Keywords
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