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Article
Potential Primary Pyrolysis Processes for Disilane
Journal of the American Chemical Society (1986)
  • Mark S. Gordon
  • Thanh N. Truong
  • Elizabeth K. Bonderson
Abstract

Four competing unimolecular decomposition pathways for disilane are considered with use of MP4 energies obtained with an extended basis set and geometries obtained at the MP2/6-31G** computational level. The 1,1- and 1,2-eliminations of H2 and the elimination of silylene to form silane all have similar endothermicities, but the very high activation energy for the I ,2-elimination eliminates this process as a significant contributor at low energies. If disilene is formed in the thermal decomposition of disilane, the more likely source is its higher energy isomer silylsilylene via a relatively low energy I ,2-hydrogen shift.

Disciplines
Publication Date
April, 1986
Publisher Statement
Reprinted (adapted) with permission from Journal of the American Chemical Society 108 (1986): 1421, doi:10.1021/ja00267a011. Copyright 1986 American Chemical Society.
Citation Information
Mark S. Gordon, Thanh N. Truong and Elizabeth K. Bonderson. "Potential Primary Pyrolysis Processes for Disilane" Journal of the American Chemical Society Vol. 108 Iss. 7 (1986)
Available at: http://works.bepress.com/mark_gordon/51/