Abstract
AbstractTwo heterogeneous reactions on an ice surface that are relevant in connection with stratospheric ozone depletion are discussed theoretically: the hydrolysis of chlorine nitrate, ClONO2, to produce HOC1 and HNO3, and the acid ionization of hydrochloric acid HC1. For the former, a recently proposed proton transfer mechanism actively involving the ice lattice is supported by examination of the ClONO2 hydrolysis energetics when proton transfer is prevented. For the latter, a previously proposed picture of facile HCl ionization at, but not on, the ice surface is supported by the results of a quantum treatment of the proton and of a model investigation of the free energetics of ionization atop the ice surface.
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