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Influence of weak coordination on the electronic characteristics of the copper(II) atom: charge density analysis in the crystal of azurite

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Nelyubina Y. V. et al. Influence of weak coordination on the electronic characteristics of the copper(II) atom: charge density analysis in the crystal of azurite // Mendeleev Communications. 2007. Vol. 17. No. 2. pp. 71-73.
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Nelyubina Y. V., Antipin M. Y., Belokoneva E. L., Lyssenko K. A. Influence of weak coordination on the electronic characteristics of the copper(II) atom: charge density analysis in the crystal of azurite // Mendeleev Communications. 2007. Vol. 17. No. 2. pp. 71-73.
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TY - JOUR
DO - 10.1016/j.mencom.2007.03.005
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2007.03.005
TI - Influence of weak coordination on the electronic characteristics of the copper(II) atom: charge density analysis in the crystal of azurite
T2 - Mendeleev Communications
AU - Nelyubina, Yulia Vladimirovna
AU - Antipin, Mikhail Yuvenal'evich
AU - Belokoneva, Elena Leonidovna
AU - Lyssenko, Konstantin Alexandrovich
PY - 2007
DA - 2007/03/15
PB - Mendeleev Communications
SP - 71-73
IS - 2
VL - 17
ER -
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@article{2007_Nelyubina,
author = {Yulia Vladimirovna Nelyubina and Mikhail Yuvenal'evich Antipin and Elena Leonidovna Belokoneva and Konstantin Alexandrovich Lyssenko},
title = {Influence of weak coordination on the electronic characteristics of the copper(II) atom: charge density analysis in the crystal of azurite},
journal = {Mendeleev Communications},
year = {2007},
volume = {17},
publisher = {Mendeleev Communications},
month = {Mar},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2007.03.005},
number = {2},
pages = {71--73},
doi = {10.1016/j.mencom.2007.03.005}
}
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Nelyubina, Yulia Vladimirovna, et al. “Influence of weak coordination on the electronic characteristics of the copper(II) atom: charge density analysis in the crystal of azurite.” Mendeleev Communications, vol. 17, no. 2, Mar. 2007, pp. 71-73. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2007.03.005.

Abstract

The chemical bonding peculiarities of two nonequivalent copper atoms with coordination numbers 4 and 5 in the crystal of azurite are estimated and compared within a topological analysis of the electron density function.

References

1.
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 and Philadelphia, 1996.
2.
Chemical Applications of X-ray Charge-Density Analysis
Koritsanszky T.S., Coppens P.
Chemical Reviews, 2001
3.
Chemical bonding in crystals: new directions
Gatti C.
Zeitschrift fur Kristallographie - Crystalline Materials, 2005
5.
The charge density distribution and antiferromagnetic properties of azurite Cu 3 [CO 3 ] 2 (OH) 2
Belokoneva E.L., Gubina Y.K., Forsyth J.B.
Physics and Chemistry of Minerals, 2001
6.
Testing aspherical atom refinements on small-molecule data sets
Hansen N.K., Coppens P.
Acta Crystallographica Section A, 1978
7.
T. S. Koritsansky, S. T. Howard, T. Richter, P. Macchi, A. Volkov, C. Gatti, P. R. Mallinson, L. J. Farrugia, Z. Su and N. K. Hansen, XD – A Computer Program Package for Multipole Refinement and Topological Analysis of Charge Densities from Diffraction Data, 2003.
9.
Verfeinerung der Struktur von Azurit, Cu3(OH)2(CO3)2, durch Neutronenbeugung
12.
A. Stash and V. Tsirelson, WinXpro, A Program for Calculation of the Crystal and Molecular Properties Using the Model Electron Density, 2001. a further information available at http://xray.nifhi.ru/wxp/.
17.
Estimation of the Barrier to Rotation of Benzene in the (η6-C6H6)2Cr Crystal via Topological Analysis of the Electron Density Distribution Function
Lyssenko K.A., Korlyukov A.A., Golovanov D.G., Ketkov S.Y., Antipin M.Y.
Journal of Physical Chemistry A, 2006
18.
Topological definition of crystal structure: determination of the bonded interactions in solid molecular chlorine
Tsirelson V.G., Zhou P.F., Tang T.-., Bader R.F.
Acta Crystallographica Section A Foundations of Crystallography, 1995
20.
Quantitative Analysis of the Electrostatic Potential in Rock-Salt Crystals Using Accurate Electron Diffraction Data
Tsirelson V.G., Avilov A.S., Lepeshov G.G., Kulygin A.K., Stahn J., Pietsch U., Spence J.C.
Journal of Physical Chemistry B, 2001
21.
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
22.
About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions
23.
Properties of Atoms in Molecules:  Caged Atoms and the Ehrenfest Force
Bader R.F., Fang D.
Journal of Chemical Theory and Computation, 2005