Relationship between stability and dimerization ability of silylenes

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

Isodesmic reaction energies and dimerization energies were calculated for several silylenes using B3LYP/6-31G(D) and MP2/6-311+G(2D) quantum chemical methods. Two different dimerization routes, the disilene formation and the four-membered bridge structure, were considered. The dimerization energy for disilene formation correlates excellently with the stabilization energy and the singlet-triplet energy separation of the silylenes. No correlation, however, has been found between the dimerization energy of the bridged dimer formation and the isodesmic reaction energy or the singlet-triplet energy separation of silylenes.

Original languageEnglish
Pages (from-to)112-117
Number of pages6
JournalJournal of Organometallic Chemistry
Volume686
Issue number1-2
DOIs
Publication statusPublished - Dec 1 2003

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Dimerization
dimerization
energy
Dimers
Stabilization
bridges (structures)
stabilization
routes
dimers

Keywords

  • Dimerization
  • Isodesmic reaction energy
  • Silylenes

ASJC Scopus subject areas

  • Biochemistry
  • Inorganic Chemistry
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Relationship between stability and dimerization ability of silylenes. / Oláh, J.; Veszprémi, T.

In: Journal of Organometallic Chemistry, Vol. 686, No. 1-2, 01.12.2003, p. 112-117.

Research output: Contribution to journalArticle

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