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.
All Science Journal Classification (ASJC) codes
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry