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Localized MO analysis of the 1,2-hydrogen shift mechanism

✍ Scribed by Tae-Kyu Ha; Minh-Tho Nguyen; M. Hendrickx; L.G. Vanquickenborne

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
449 KB
Volume
96
Category
Article
ISSN
0009-2614

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The mechanism of 1,2-addition reactions of HF and HCl to Si=Si, Si=C, and C=C bonds has been investigated by ab initio quantum chemical methods. Geometries and relative energies of the stationary points and all the transition states were determined by using the MP2/6-311++G(d,p), B3LYP/6-311++G(d,p)