Theoretical study of thermal isomerization of silacyclobutene to cyclopropene

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

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

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
JournalOrganometallics
Volume23
Issue number20
DOIs
Publication statusPublished - Sep 27 2004

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Isomerization
isomerization
shift
tert-Butyl Alcohol
cyclopropane
alcohols
trapping
rings
cyclopropene
Hot Temperature

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

Cite this

Theoretical study of thermal isomerization of silacyclobutene to cyclopropene. / Shiota, Yoshihito; Yasunaga, Makoto; Naka, Akinobu; Ishikawa, Mitsuo; Yoshizawa, Kazunari.

In: Organometallics, Vol. 23, No. 20, 27.09.2004, p. 4744-4749.

Research output: Contribution to journalArticle

Shiota, Yoshihito ; Yasunaga, Makoto ; Naka, Akinobu ; Ishikawa, Mitsuo ; Yoshizawa, Kazunari. / Theoretical study of thermal isomerization of silacyclobutene to cyclopropene. In: Organometallics. 2004 ; Vol. 23, No. 20. pp. 4744-4749.
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