Radical reaction mechanism of a stable silylene with halocarbons

S. Y. Chu; Mu-Jeng Cheng

Radical reaction mechanism of a stable silylene with halocarbons

Department of Chemistry

Research output: Contribution to journal › Conference article › peer-review

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 language	English
Journal	ACS National Meeting Book of Abstracts
Volume	230
Publication status	Published - 2005 Dec 1
Event	230th ACS National Meeting - Washington, DC, United States Duration: 2005 Aug 28 → 2005 Sept 1

All Science Journal Classification (ASJC) codes

General Chemistry
General Chemical Engineering

Cite this

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title = "Radical reaction mechanism of a stable silylene with halocarbons",

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).",

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TY - JOUR

T1 - Radical reaction mechanism of a stable silylene with halocarbons

AU - Chu, S. Y.

AU - Cheng, Mu-Jeng

PY - 2005/12/1

Y1 - 2005/12/1

N2 - 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).

AB - 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).

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M3 - Conference article

AN - SCOPUS:33745341766

SN - 0065-7727

VL - 230

JO - ACS National Meeting Book of Abstracts

JF - ACS National Meeting Book of Abstracts

T2 - 230th ACS National Meeting

Y2 - 28 August 2005 through 1 September 2005

ER -

Radical reaction mechanism of a stable silylene with halocarbons

Abstract

All Science Journal Classification (ASJC) codes

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