Skip to main content
Article
Heats of Formation of Alkylsilanes
Journal of Physical Chemistry (1989)
  • Mark S. Gordon
  • Jerry A. Boatz
  • Robin Walsh, University of Reading
Abstract

Theoretical heats of formation at 298 K for several alkylsilanes, predicted at the MP2/6-31G(d) level of theory, are compared with recently obtained experimental and additivity values. Excellent agreement is obtained between the ab initio and additivity values and with the more reliable experimental values for acyclic alkylsilanes. The ab initio heats of formation for the silacycloalkanes permit the evaluation of strain energy increments for the additivity scheme. Comparison is made with limited experimental data.

Disciplines
Publication Date
February, 1989
Publisher Statement
Reprinted (adapted) with permission from Journal of Physical Chemistry 93 (1989): 1584, doi:10.1021/j100341a078. Copyright 1989 American Chemical Society.
Citation Information
Mark S. Gordon, Jerry A. Boatz and Robin Walsh. "Heats of Formation of Alkylsilanes" Journal of Physical Chemistry Vol. 93 Iss. 4 (1989)
Available at: http://works.bepress.com/mark_gordon/75/