Consistent transfer of protons in molecular rings of water: Origination of H3O+ and OH– ions

Abstract

For the first time, nonempirical modeling of water clusters composed of several fused molecular rings supplemented with the theoretical analysis of quantum states of the systems provided grounds for clarifying the conditions when consistent shifts of bridge protons within one structural ring promoted by the contraction of the oxygen skeleton can repeatedly cause the formation of H₃O⁺ and OH^– ions.