Abstract
The potential energy surface sections of the ground and excited states of the SeOO (Cs) superoxo complex have been constructed on the basis of spin-orbit coupling calculations. The activation barriers to the forward and reverse reactions—superoxide SeOO ↔ peroxide Se(O2) ↔ dioxide SeO2—have been calculated. Changes in the spectral and spin properties of oxygen (zero-field splitting) and possible channels of formation of active forms of 1O2 oxygen (1Δg, 1Σg+) upon dissociation of excited states of selenium oxo complexes have been scrutinized.
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