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

Konstantin Alexandrovich Lyssenko 1
Konstantin Alexandrovich Lyssenko
, 
Petr Yurievich Barzilovich 2
Petr Yurievich Barzilovich
,  , 
Mikhail Yuvenal'evich Antipin 1
Mikhail Yuvenal'evich Antipin
, 
Yurii Anatolevich Dobrovolsky 2
Yurii Anatolevich Dobrovolsky
10.1016/j.mencom.2008.11.008
Published 2008-11-01
Communication , Volume 18, Issue 6, 312-314
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Lyssenko K. A. et al. The role of H-bonds in charge transfer in the crystal of 1,5-naphthalenedisulfonic acid tetrahydrate // Mendeleev Communications. 2008. Vol. 18. No. 6. pp. 312-314.
GOST all authors (up to 50) Copy
Lyssenko K. A., Barzilovich P. Y., Aldoshin S. M., Antipin M. Y., Dobrovolsky Y. A. The role of H-bonds in charge transfer in the crystal of 1,5-naphthalenedisulfonic acid tetrahydrate // Mendeleev Communications. 2008. Vol. 18. No. 6. pp. 312-314.
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TY - JOUR
DO - 10.1016/j.mencom.2008.11.008
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2008.11.008
TI - The role of H-bonds in charge transfer in the crystal of 1,5-naphthalenedisulfonic acid tetrahydrate
T2 - Mendeleev Communications
AU - Lyssenko, Konstantin Alexandrovich
AU - Barzilovich, Petr Yurievich
AU - Aldoshin, Sergei Mikhailovich
AU - Antipin, Mikhail Yuvenal'evich
AU - Dobrovolsky, Yurii Anatolevich
PY - 2008
DA - 2008/11/01
PB - Mendeleev Communications
SP - 312-314
IS - 6
VL - 18
ER -
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@article{2008_Lyssenko,
author = {Konstantin Alexandrovich Lyssenko and Petr Yurievich Barzilovich and Sergei Mikhailovich Aldoshin and Mikhail Yuvenal'evich Antipin and Yurii Anatolevich Dobrovolsky},
title = {The role of H-bonds in charge transfer in the crystal of 1,5-naphthalenedisulfonic acid tetrahydrate},
journal = {Mendeleev Communications},
year = {2008},
volume = {18},
publisher = {Mendeleev Communications},
month = {Nov},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2008.11.008},
number = {6},
pages = {312--314},
doi = {10.1016/j.mencom.2008.11.008}
}
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Lyssenko, Konstantin Alexandrovich, et al. “The role of H-bonds in charge transfer in the crystal of 1,5-naphthalenedisulfonic acid tetrahydrate.” Mendeleev Communications, vol. 18, no. 6, Nov. 2008, pp. 312-314. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2008.11.008.
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Keywords

charge density
Charge transfer
H-bond
topological analysis
Zundel ion

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.

References

2.
Mechanisms of proton transfer in Nafion®: elementary reactions at the sulfonic acid groups
Sagarik K., Phonyiem M., Lao-ngam C., Chaiwongwattana S.
Physical Chemistry Chemical Physics, 2008
3.
Water Clusters in Crystal: Beyond the “Hydrogen-Bonding Graphs”
Lyssenko K.A., Nelyubina Y.V., Kostyanovsky R.G., Antipin M.Y.
ChemPhysChem, 2006
4.
Chemical Applications of X-ray Charge-Density Analysis
Koritsanszky T.S., Coppens P.
Chemical Reviews, 2001
5.
Chemical bonding in crystals: new directions
Gatti C.
Zeitschrift fur Kristallographie - Crystalline Materials, 2005
6.
V. G. Tsirelson and R. P. Ozerov, Electron Density and Bonding in Crystals: Principles, Theory and X-Ray Diffraction Experiments in Solid State Physics and Chemistry, IOP Publishing Ltd., Bristol, UK, 1996.
8.
A Bond Path:  A Universal Indicator of Bonded Interactions
Bader R.F.
Journal of Physical Chemistry A, 1998
10.
About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions
Espinosa E., Alkorta I., Rozas I., Elguero J., Molins E.
Chemical Physics Letters, 2001
11.
10.1016/j.mencom.2008.11.008_bib6
Lyssenko
Izv. Akad. Nauk, Ser. Khim., 2006
12.
10.1016/j.mencom.2008.11.008_bib7
Deng
Acta Crystallogr., 2005
13.
10.1016/j.mencom.2008.11.008_bib8
Hanson
Acta Crystallogr., 1987
15.
Are Halide···Halide Contacts a Feature of Rock-Salts Only?
Nelyubina Y.V., Antipin M.Y., Lyssenko K.A.
Journal of Physical Chemistry A, 2007
16.
NO3–⋯NO3– and NO3–⋯π interactions in the crystal of urea nitrate
Nelyubina Y.V., Lyssenko K.A., Golovanov D.G., Antipin M.Y.
CrystEngComm, 2007
17.
Theoretical Study of the Interaction between the Guanidinium Cation and Chloride and Sulfate Anions
Rozas I., Kruger P.E.
Journal of Chemical Theory and Computation, 2005
18.
Testing aspherical atom refinements on small-molecule data sets
Hansen N.K., Coppens P.
Acta Crystallographica Section A, 1978
19.
A. Volkov, P. Macchi, L. J. Farrugia, C. Gatti, P. Mallinson, T. Richter and T. Koritsanszky, XD2006 – A Computer Program Package for Multipole Refinement, Topological Analysis of Charge Densities and Evaluation of Intermolecular Energies from Experimental and Theoretical Structure Factors, 2006.
20.
A. Stash and V. Tsirelson, WinXPRO, A Program for Calculation of the Crystal and Molecular Properties Using the Model Electron Density, 2001;
22.
10.1016/j.mencom.2008.11.008_bib14
Kirzhnits
Sov. Phys. JETP, 1957