Theoretical study of thermal isomerization of silacyclobutene to cyclopropene

Yoshihito Shiota, Makoto Yasunaga, Akinobu Naka, Mitsuo Ishikawa, Kazunari Yoshizawa

Research output: Contribution to journalArticlepeer-review

14 Citations (Scopus)


The reaction pathway and energetics for the conversion of silacyclobutene to cyclopropene was investigated. IRC calculations were performed to trace the 1,2-siloxyl shift in this mechanism. Cyclopropene was obtained experimentally by the thermal isomerization of silacylobutene and by the subsequent trapping of cyclopropane using tert-butyl alcohol. The IRC calculations indicate that the 1,2-siloxyl shift can be divided into two processes: 1,2-siloxyl shift and the formation of the cyclopropene ring.

Original languageEnglish
Pages (from-to)4744-4749
Number of pages6
Issue number20
Publication statusPublished - Sept 27 2004

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry


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