AB-INITIO CALCULATIONS FOR FO3, FO3- COMPLEXES FORMED BY FLUORINE WITH OZONE(, AND FO3)

Authors
FRECER V JAIN DC SAPSE AM
Citation
V. Frecer et al., AB-INITIO CALCULATIONS FOR FO3, FO3- COMPLEXES FORMED BY FLUORINE WITH OZONE(, AND FO3), Structural chemistry, 9(1), 1998, pp. 9-13
Citations number
8
Categorie Soggetti
Chemistry
Journal title
Structural chemistry → ACNP
ISSN journal
10400400
Volume
9
Issue
1
Year of publication
1998
Pages
9 - 13
Database
ISI
SICI code
1040-0400(1998)9:1<9:ACFFFC>2.0.ZU;2-2
Abstract
Complexes formed by fluorine with ozone, featuring neutral, positive, and negative species, as well as the decomposition reactions of the co mplexes are investigated with quantum chemical calculations, using the 6-311G and the 6-311+G* basis sets, with the Moller-Plesset method. The most stable structures of the complexes are identified and the ene rgies of the reactions of the complexes' formation and decomposition a re obtained.