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Mendeleev Communications, 2008, Volume 18, Issue 6, Pages 312–314
DOI: https://doi.org/10.1016/j.mencom.2008.11.008
(Mi mendc3339)
 

This article is cited in 13 scientific papers (total in 13 papers)

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
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.
Bibliographic databases:
Document Type: Article
Language: English
Supplementary materials:
Supplementary_data_1.pdf (192.1 Kb)


Citation: K. A. Lyssenko, P. Yu. Barzilovich, S. M. Aldoshin, M. Yu. Antipin, Yu. A. Dobrovolsky, “The role of H-bonds in charge transfer in the crystal of 1,5-naphthalenedisulfonic acid tetrahydrate”, Mendeleev Commun., 18:6 (2008), 312–314
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  • https://www.mathnet.ru/eng/mendc/v18/i6/p312
  • This publication is cited in the following 13 articles:
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