Issue 22, 1969

Electronic structure and inversion barrier of phosphine. An ab initio SCF–LCAO–MO study

Abstract

Near-Hartree–Fock SCF-LCAO-MO calculations with geometry optimization on PH3 reveal the electronic structure (d orbital participation, nature of the lone pair) and the barrier to phosphorus inversion.

Article information

Article type
Paper

J. Chem. Soc. D, 1969, 1327-1329

Electronic structure and inversion barrier of phosphine. An ab initio SCF–LCAO–MO study

J. M. Lehn and B. Munsch, J. Chem. Soc. D, 1969, 1327 DOI: 10.1039/C29690001327

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