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 -