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Gas-Phase Reaction of Silylene with Acetone: Direct Rate Studies, RRKM Modeling, and ab Initio Studies of the Potential Energy Surface

✍ Scribed by Becerra, R.; Cannady, J. P.; Walsh, R.

Book ID
125996190
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
136 KB
Volume
103
Category
Article
ISSN
1089-5639

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✍ Dong Nam Shin; Yong Sim Yoo; Chul Woong Park; Jae Won Hahn; Kihyung Song πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 490 KB

Unimolecular dissociations of CFaH into (1) CF2(1AI ) + HF, (2) CF 3 + H and (3) CF2H + F were studied by means of RRKM and PST calculations on an ab initio potential energy surface. Activation energies for the three channels (1), ( 2) and (3) are 73.95, 108.20 and 130.02 kcal/mol at G2 level, respe