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ЖУРНАЛЫ // Mendeleev Communications // Архив

Mendeleev Commun., 2008, том 18, выпуск 6, страницы 312–314 (Mi mendc3339)

Эта публикация цитируется в 13 статьях

The role of H-bonds in charge transfer in the crystal of 1,5-naphthalenedisulfonic acid tetrahydrate

K. A. Lyssenkoa, P. Yu. Barzilovichb, S. M. Aldoshinb, M. Yu. Antipina, Yu. A. Dobrovolskyb

a A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Moscow, Russian Federation
b Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow Region, Russian Federation

Аннотация: Electron density analysis in the title compound has revealed that, due to H-bond formation, the total charges of the dianion and H5O2+ cation are substantially decreased and bond length distribution in the SO3 moiety can be directly related to the total energy of the cation–anion interactions and partial charges.

Ключевые слова: Zundel ion, H-bond, charge density, topological analysis, charge transfer.

Язык публикации: английский

DOI: 10.1016/j.mencom.2008.11.008



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