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

Autor:	Yu. V. Novakovskaya, A. S. Bednyakov
Rok vydání:	2016
Předmět:	Crystallography 010304 chemical physics chemistry Computational chemistry 0103 physical sciences chemistry.chemical_element General Chemistry 010402 general chemistry Ring (chemistry) 01 natural sciences Oxygen 0104 chemical sciences Ion
Zdroj:	Doklady Chemistry. 471:307-310
ISSN:	1608-3113 0012-5008
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::d544042f968ae23a50f4052e816a812d https://doi.org/10.1134/s0012500816110021 Zobrazit plný text záznamu Plný text ve formátu PDF