Theoretical Chemistry Accounts

, Volume 105, Issue 4, pp 323–327

Spin-coupled description of the chemical bonding to hypercoordinate chlorine

  • David L. Cooper
Regular article

DOI: 10.1007/PL00013292

Cite this article as:
Cooper, D. Theor Chem Acc (2001) 105: 323. doi:10.1007/PL00013292

Abstract.

Modern valence bond theory, in its spin-coupled form, is used to investigate the nature of the bonding in hypercoordinate chlorine fluorides. In each of ClF+2, ClF3, ClF+4, ClF5 and ClF3O the description that emerges is of very polar two-centre two-electron bonds. The orbital picture is fairly transferable from one system to another: the differences between “normal octet” and hypercoordinate species, or between cations and neutrals, are relatively small.

Key words: Spin-coupled approachChlorine fluoridesHypercoordinateValence bond theory

Copyright information

© Springer-Verlag Berlin Heidelberg 2001

Authors and Affiliations

  • David L. Cooper
    • 1
  1. 1.Department of Chemistry, University of Liverpool, P.O. Box 147, Liverpool L69 7ZD, UKGB