This article is cited in 14 papers

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

K. A. Lyssenko^a, P. Yu. Barzilovich^b, S. M. Aldoshin^b, M. Yu. Antipin^a, Yu. A. Dobrovolsky<sup>b

a</sup> 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

Abstract: 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.

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

Language: English

DOI: 10.1016/j.mencom.2008.11.008

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