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Selected Works of Mark S. Gordon
Article
Theoretical Studies of the Reactions XHn → XHn-1- + H+ and XHn-1- + SiH4 → [SiH4XHn-1]-
Journal of the American Chemical Society (1986)
  • Mark S. Gordon, North Dakota State Unviersity
  • Larry P. Davis, Air Force Office of Scientific Research
  • Larry W. Burggraf, Air Force Office of Scientific Research
  • Robert Damrauer, University of Colorado
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Abstract
Ab initio and MNDO calculations have been carried out to evaluate the gas-phase acidities of closed-shell XHn compounds (X= C, N, 0, F, Si, P, S, Cl) and the affinities of silane for the XHn_1- anions. Fourth-order perturbation theory with extended basis sets reproduces the experimental gas-phase acidities to within 2 kcaljmol. Stable pentacoordinated silicon anions are found for X = H, C, N, 0, and F. In contrast, only marginally stable charge-dipole complexes are found for X = Si, S, and Cl.
Disciplines
Publication Date
December 10, 1986
DOI
10.1021/ja00285a001
Publisher Statement
Works produced by employees of the U.S. Government as part of their official duties are not copyrighted within the U.S. The content of this document is not copyrighted.
Citation Information
Mark S. Gordon, Larry P. Davis, Larry W. Burggraf and Robert Damrauer. "Theoretical Studies of the Reactions XHn → XHn-1- + H+ and XHn-1- + SiH4 → [SiH4XHn-1]-" Journal of the American Chemical Society Vol. 108 Iss. 25 (1986) p. 7889 - 7893
Available at: http://works.bepress.com/mark_gordon/55/