Electrophilicity of three-coordinate phosphorus derivatives. I. Steric and electronic structure of complexes of /sub P/III with amines

Journal Article · Thu Mar 20 04:00:00 EST 1986 · J. Gen. Chem. USSR (Engl. Transl.); (United States)

OSTI ID:5676766

Karelov, A A; Molostov, V I

By semiempirical and nonempirical methods of quantum chemistry a study was made of the steric and electron structure of the molecules YNH/sub 2/ and PX/sub 3/ (Y = H, CH/sub 3/; X = H, F, Cl) and their molecular complexes. The binding of PF/sub 3/ and amines in complexes is effected by electrostatic interaction, but in complexes of PCl/sub 3/ with amines by donor-acceptor interaction with considerable transfer of electron density from the amine to the low-lying unoccupied orbitals of the P-Cl sigma* bond.

• Research Organization: A. E. Arbuzov Institute of Organic and Physical Chemistry, Kazan, USSR
• OSTI ID: 5676766
• Journal Information: J. Gen. Chem. USSR (Engl. Transl.); (United States), Journal Name: J. Gen. Chem. USSR (Engl. Transl.); (United States) Vol. 55:10; ISSN JGCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
AMINES
ATOMIC MODELS
BINDING ENERGY
CHARGE DISTRIBUTION
CHLORIDES
CHLORINE COMPOUNDS
COMPLEXES
COMPLEXOMETRY
CONFIGURATION INTERACTION
ELECTRON DENSITY
ELECTRON TRANSFER
ELECTRONIC STRUCTURE
ELECTRONS
ELECTROSTATICS
ELEMENTARY PARTICLES
ENERGY
FERMIONS
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
LEPTONS
MATHEMATICAL MODELS
MECHANICS
ORGANIC COMPOUNDS
PHOSPHORUS CHLORIDES
PHOSPHORUS COMPLEXES
PHOSPHORUS COMPOUNDS
PHOSPHORUS FLUORIDES
QUANTUM MECHANICS
STEREOCHEMISTRY
VALENCE