Skip to main content
profile image
Selected Works of Mark S. Gordon
Article
Theoretical Study of Pseudorotation of Pentacoordinated Silicon Anions: The Prototypical SiH5-
Journal of the American Chemical Society (1990)
  • Mark S. Gordon, North Dakota State University
  • Theresa L. Windus, North Dakota State University
  • Larry W. Burggraf, Air Force Office of Scientific Research
  • Larry P. Davis, Air Force Office of Scientific Research
Download Find in your library
Abstract
Ab initio and semiempirical calculations are used to analyze the minimum energy path for the pseudorotation of SiH5-. Both AMI and MP2/6-31++G(d,p) predict pseudorotation barriers of 2.4 kcal/mol. A decomposition of the projected vibrational frequencies along the path is used to assist in the interpretation of the process.
Disciplines
Publication Date
September, 1990
DOI
10.1021/ja00176a014
Publisher Statement
Reprinted (adapted) with permission from Journal of the American Chemical Society, 112(20); 7167-7171. Doi: 10.1021/ja00176a014. Copyright 1990 American Chemical Society.
Citation Information
Mark S. Gordon, Theresa L. Windus, Larry W. Burggraf and Larry P. Davis. "Theoretical Study of Pseudorotation of Pentacoordinated Silicon Anions: The Prototypical SiH5-" Journal of the American Chemical Society Vol. 112 Iss. 20 (1990) p. 7167 - 7171
Available at: http://works.bepress.com/mark_gordon/90/