Title

Semipolar P-O and P-C Bonds. A Theoretical Study of Hypophosphite and Related Methylenephosphoranes

Abstract

Structures, energies, and electronic structures as derived from integrated projected densities are presented from ab initio MO calculations of H3PO (1), H3PCH2(2), H2PO2- (3), OPH2CH2- (4), and H2P(CH2)2- (5). The results show that allylic conjugation is not important in 3, 4, and 5 and that the PO and PC bonds in these compounds are best represented as dipolar bonds with little double-bond character. Simple electrostatic considerations suffice to interpret many of the results obtained concerning structure and energy.

Department(s)

Chemistry

International Standard Serial Number (ISSN)

0002-7863; 1520-5126

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 1987 American Chemical Society (ACS), All rights reserved.

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