A THEORETICAL-STUDY OF THE ENERGETICS OF INSERTION OF DICARBON (C-2) AND VINYLIDENE INTO METHANE C-H BONDS

Authors
HORNER DA CURTISS LA DIETER DM
Citation
Da. Horner et al., A THEORETICAL-STUDY OF THE ENERGETICS OF INSERTION OF DICARBON (C-2) AND VINYLIDENE INTO METHANE C-H BONDS, Chemical physics letters, 233(3), 1995, pp. 243-248
Citations number
15
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
233
Issue
3
Year of publication
1995
Pages
243 - 248
Database
ISI
SICI code
0009-2614(1995)233:3<243:ATOTEO>2.0.ZU;2-N
Abstract
The insertion of dicarbon (C-2) and vinylidene into methane C-H bonds was studied using ab initio molecular orbital theory. The reactions ar e simple models for thin film diamond growth in which C-2 is the princ ipal growth species. The results of this study suggest that reaction o f C-2 with a diamond surface should be favorable energetically with sm all activation barriers.