REGARDING THE GAS-PHASE ACIDITY OF CF3OH

Authors
NOTARIO R CASTANO O ABBOUD JLM
Citation
R. Notario et al., REGARDING THE GAS-PHASE ACIDITY OF CF3OH, Chemical physics letters, 263(3-4), 1996, pp. 367-370
Citations number
21
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
263
Issue
3-4
Year of publication
1996
Pages
367 - 370
Database
ISI
SICI code
0009-2614(1996)263:3-4<367:RTGAOC>2.0.ZU;2-1
Abstract
The gas-phase acidity of trifluoromethanol, CF3OH, at the G2(MP2) and G2 levels was calculated. The computed values, corrected from the corr elations between experimental and theoretical acidities, agree well wi th the most recent direct experimental determination of Delta H-acid a nd Delta G(acid) of CF3OH.