THE C-H DISSOCIATION-ENERGY OF C2H6

Authors
BAUSCHLICHER CW PARTRIDGE H
Citation
Cw. Bauschlicher et H. Partridge, THE C-H DISSOCIATION-ENERGY OF C2H6, Chemical physics letters, 239(4-6), 1995, pp. 246-251
Citations number
34
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
239
Issue
4-6
Year of publication
1995
Pages
246 - 251
Database
ISI
SICI code
0009-2614(1995)239:4-6<246:TCDOC>2.0.ZU;2-3
Abstract
The C-H bond energy in C2H6 is computed to be 99.76+/-0.45 kcal/mol, w hich is in excellent agreement with the most recent experimental value s. The calculation of the C-H bond energy by direct dissociation and b y an isodesmic reaction is discussed.