GRADIENT LINE REACTION-PATH OF HF ADDITION TO ETHYLENE

Citation
Rm. Minyaev et Dj. Wales, GRADIENT LINE REACTION-PATH OF HF ADDITION TO ETHYLENE, Chemical physics letters, 218(5-6), 1994, pp. 413-421
Citations number
67
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
218
Issue
5-6
Year of publication
1994
Pages
413 - 421
Database
ISI
SICI code
0009-2614(1994)218:5-6<413:GLROHA>2.0.ZU;2-M
Abstract
The gradient line reaction path of the HF addition to ethylene is show n to consist of two distinct gradient lines. The first connects the re actant minimum via one transition state to another transition state. T he second is associated with the internal rotation about the carbon-ca rbon bond in ethyl fluoride and this gradient line also passes through the second transition state. The main feature of this reaction path i s that the first gradient line is not connected to the product minima directly.