Photoelectron spectra and electronic structures of organophosphorus compounds. V. 1,3,2-Diheterophospholanes and their acyclic analogs

Journal Article · Fri Jun 20 00:00:00 EDT 1986 · J. Gen. Chem. USSR (Engl. Transl.); (United States)

OSTI ID:5793835

Zverev, V V; Bazhanova, Z G; Villem, N V; Villem, Ya Ya; Kitaev, Yu P

The upper filled orbitals in 2-chloro-1,3,2-dioxaphospholane, 2-methoxy-1,3,2-dioxaphospholane, and dimethylchlorophosphite represent combinations of the unshared electron pairs on the heteroatoms. The largest contribution to the HOMO comes from the unshared electron pair on the phosphorus atom. In this series of compounds, the decrease or increase in the difference between the first two ionization potentials on ring closure is related to conformation features.

• OSTI ID: 5793835
• Journal Information: J. Gen. Chem. USSR (Engl. Transl.); (United States), Journal Name: J. Gen. Chem. USSR (Engl. Transl.); (United States) Vol. 56:1; 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
ATOMIC MODELS
CHEMICAL REACTIONS
CONFIGURATION INTERACTION
CONFORMATIONAL CHANGES
CORRELATIONS
ELECTRON CORRELATION
ELECTRON SPECTROSCOPY
ELECTRONIC STRUCTURE
HETEROCYCLIC COMPOUNDS
IONIZATION
IONIZATION POTENTIAL
ISOMERIZATION
MATHEMATICAL MODELS
MECHANICS
MOLECULAR STRUCTURE
ORGANIC COMPOUNDS
ORGANIC PHOSPHORUS COMPOUNDS
PHOTOELECTRON SPECTROSCOPY
QUANTUM MECHANICS
SPECTROSCOPY