Radical reaction mechanism of a stable silylene with halocarbons

S. Y. Chu, Mu-Jeng Cheng

Research output: Contribution to journalConference article

Abstract

The hybrid density functional B3LYP method was used to study the mechanism of the reaction of the stable aromatic bis(amino)silylene or related ring compounds with CCl4 or CHCl3 as observed by the groups of West and Gehrhus. The abstraction reaction mechanism proceeded through a disilene (a weak complex of two silylenes) resulting in low barrier of 7 and 16.8 kcal/mole, respectively, for CCl4 and CHCl3. In contrast, the sequential double insertion reaction of two separate silylenes gave highest barriers along the reaction paths, 33.8 and 52.5 kcal/mole, respectively, for CCl4 and CHCl3. This is an abstract of a paper presented at the 230th ACS National Meeting (Washington, DC 8/28/2005-9/1/2005).

Original languageEnglish
JournalACS National Meeting Book of Abstracts
Volume230
Publication statusPublished - 2005 Dec 1
Event230th ACS National Meeting - Washington, DC, United States
Duration: 2005 Aug 282005 Sep 1

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)

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