PHOTOCHEMICAL STUDIES OF HYDROGEN-PEROXIDE IN SOLID RARE-GASES - FORMATION OF THE HOH-CENTER-DOT-CENTER-DOT-CENTER-DOT-O(P-3) COMPLEX

Citation
S. Pehkonen et al., PHOTOCHEMICAL STUDIES OF HYDROGEN-PEROXIDE IN SOLID RARE-GASES - FORMATION OF THE HOH-CENTER-DOT-CENTER-DOT-CENTER-DOT-O(P-3) COMPLEX, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(39), 1998, pp. 7643-7648
Citations number
50
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Chemistry Physical
ISSN journal
1089-5639
Volume
102
Issue
39
Year of publication
1998
Pages
7643 - 7648
Database
ISI
SICI code
1089-5639(1998)102:39<7643:PSOHIS>2.0.ZU;2-C
Abstract
UV photolysis of H2O2 in solid Ar, Kr, and Xe yields isolated OH radic als and a complex between a water molecule and a ground-state (P-3) ox ygen atom. The vibrational bands of the HOH ... O complex are observed at 3730.1 and 3633.0 cm(-1) in Ar, at 3718.6 and 3622.4 cm(-1) in Kr, and at 3704.3 and 3607.3 cm(-1) in Xe matrices. The assignment is bas ed on isotopic substitution, selective photoinduced processes between H2O2 and HOH ... O, and ab initio calculations. In Kr and Xe matrices, the complex is formed with much less efficiency when compared with Ar matrices, indicating the existence of other photolysis channels. Comp utational results on the complex geometry and vibrational frequencies are presented and compared with experimental data.