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Energetics of C–C Bond Scission in Ethane Hydrogenolysis: A Theoretical Study of Possible Intermediates and Reaction Pathways

✍ Scribed by A. V. Zeigarnik; O. N. Myatkovskaya

Book ID
110291341
Publisher
Springer
Year
2001
Tongue
English
Weight
93 KB
Volume
42
Category
Article
ISSN
0023-1584

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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