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

Author

Andrew J. Streitwieser
Andrzej Rajca
Robert S. McDowell
Rainer Glaser, Missouri University of Science and TechnologyFollow

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.

Recommended Citation

A. J. Streitwieser et al., "Semipolar P-O and P-C Bonds. A Theoretical Study of Hypophosphite and Related Methylenephosphoranes," Journal of the American Chemical Society, vol. 109, no. 14, pp. 4184 - 4188, American Chemical Society (ACS), Jul 1987.

The definitive version is available at https://doi.org/10.1021/ja00248a010

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.

Publication Date

01 Jul 1987