The nature of the superoxide radical anion in water

摘要

Vibrational properties of the superoxide radical anion (O_2~-?) in liquid water have been experimentally investigated for the first time. The stretching frequency, its shift from the gas-phase to aqueous solution, anharmonicity constant, and the Raman bandwidths provide an insight into the radicalwater interactions and the hydration cage. In view of the spectroscopic information obtained in this work, the structural models based on molecular dynamics simulation in solution and gas-phase infrared studies of the water molecules bound to O_2~-? are critically examined.