Abstract
Structural models for stabilized O− in γ-irradiated alkaline ices are evaluated. INDO calculations on hydrated O− indicate octahedral coordination and hydrogen bond orientations for the water molecules are preferred. INDO results for hydrated OH− are compared with crystallographic data for NaOH hydrates: a scaling factor for calculated hydrogen bond lengths is developed and applied to hydrogen bonded O− models. The hydrated O− model is closely similar to the hydrated anions in KF · 4H2O, NaOH · 4H2O, and NaOH · 7H2O. A second model is developed, involving H3O+ along with H2O, in the O− stabilization shell. Both models are discussed in terms of alkaline ice radiation chemistry.
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