New aspects of UV photolysis of hydrogen peroxide. Nitrogen matrix isolation FTIR and theoretical studies

UV photochemistry of H2O2 isolated in solid nitrogen at 15 K has been studied experimentally by FTIR matrix isolation technique and theoretically using DFT and MP2 methods. The major photoproducts were identified as (i) nitrous oxide and N2O⋯H2O complex and (ii) free and complexed to N2O hydroxyl radicals. Except for the OH radicals all observed species are unique and characteristic for H2O2 photolysis in solid nitrogen. The identities of the products have been confirmed by comparison with results of quantum chemical calculations, and reference to the spectral data of related molecules. Differences in the photolysis course upon irradiation at 230 and 212 nm are discussed.