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Theoretical studies of the insertions of germylene into methane

✍ Scribed by Ming-Der Su; San-Yan Chu

Publisher
Elsevier Science
Year
1999
Tongue
French
Weight
182 KB
Volume
40
Category
Article
ISSN
0040-4039

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✦ Synopsis

The reaction mechanism for the insertion of germylenes into the C-H bond of methane has been investigated using the B3LYP/6-311G* level of theory. It is found that the more elecax3imsifive rod/or stronger x-accepting the substituents on the germylenes axe, the smaller the insertion barrier and the more exothernfic the reaction. Our theoretical findings agree well with the available experiments.

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