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A theoretical study of the energetics of insertion of dicarbon (C2) and vinylidene into methane CH bonds

✍ Scribed by David A. Horner; Larry A. Curtiss; Dieter M. Gruen

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
392 KB
Volume
233
Category
Article
ISSN
0009-2614

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✦ Synopsis

The insertion of dicarbon (C 2) and vinylidene into methane C-H bonds was studied using ab initio molecular orbital theory. The reactions are simple models for thin film diamond growth in which C 2 is the principal growth species. The results of this study suggest that reaction of C 2 with a diamond surface should be favorable energetically with small activation barriers.

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