The temperature dependence of absolute gas phase acidities

Citation
Je. Bartmess et al., The temperature dependence of absolute gas phase acidities, INT J MASS, 196, 2000, pp. 215-223
Citations number
78
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
ISSN journal
13873806 → ACNP
Volume
196
Year of publication
2000
Pages
215 - 223
Database
ISI
SICI code
1387-3806(20000121)196:<215:TTDOAG>2.0.ZU;2-P
Abstract
Using both ab initio and semiempirical calculations, the temperature depend ence of the thermochemical cycle relating gas phase enthalpies of acidity t o electron affinities and bond dissociation energies is examined. In almost all cases, the effect of temperature is less than the uncertainties in the thermochemical quantities themselves. (C) 2000 Elsevier Science B.V.