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Semipolar P-O and P-C Bonds. A Theoretical Study of Hypophosphite and Related Methylenephosphoranes
Journal of the American Chemical Society
  • Andrew J. Streitwieser
  • Andrzej Rajca
  • Robert S. McDowell
  • Rainer Glaser, Missouri University of Science and Technology
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
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 1987 American Chemical Society (ACS), All rights reserved.
Publication Date
7-1-1987
Publication Date
01 Jul 1987
Disciplines
Citation Information
Andrew J. Streitwieser, Andrzej Rajca, Robert S. McDowell and Rainer Glaser. "Semipolar P-O and P-C Bonds. A Theoretical Study of Hypophosphite and Related Methylenephosphoranes" Journal of the American Chemical Society Vol. 109 Iss. 14 (1987) p. 4184 - 4188 ISSN: 0002-7863; 1520-5126
Available at: http://works.bepress.com/rainer-glaser/111/