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
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.