Estimation of the energy of coordination K-O bonds in a potassium hydrophthalate crystal on the basis of electron-density distribution analysis
Publication type: Journal Article
Publication date: 2008-03-01
scimago Q4
wos Q4
SJR: 0.145
CiteScore: 0.8
Impact factor: 0.5
ISSN: 10637745, 1562689X
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract
Detailed study of the nature of weak coordination K-O interactions and strong O-H···O hydrogen bonds and estimation of their energy in a potassium hydrophthalate crystal have been performed on the basis of the topological analysis of the electron density distribution function, obtained from precise X-ray diffraction study at 100 K (R1 = 0.0110), within Bader’s “Atoms in Molecule” theory. It is shown that the charge transfer accompanying the formation of cation···anion associates in the crystal is only 0.05 e.
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Nelyubina Yu. V., Lyssenko K., Antipin M. Y. Estimation of the energy of coordination K-O bonds in a potassium hydrophthalate crystal on the basis of electron-density distribution analysis // Crystallography Reports. 2008. Vol. 53. No. 2. pp. 192-198.
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Nelyubina Yu. V., Lyssenko K., Antipin M. Y. Estimation of the energy of coordination K-O bonds in a potassium hydrophthalate crystal on the basis of electron-density distribution analysis // Crystallography Reports. 2008. Vol. 53. No. 2. pp. 192-198.
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TY - JOUR
DO - 10.1134/s1063774508020053
UR - http://link.springer.com/10.1134/S1063774508020053
TI - Estimation of the energy of coordination K-O bonds in a potassium hydrophthalate crystal on the basis of electron-density distribution analysis
T2 - Crystallography Reports
AU - Nelyubina, Yu V
AU - Lyssenko, K.A.
AU - Antipin, M. Yu.
PY - 2008
DA - 2008/03/01
PB - Pleiades Publishing
SP - 192-198
IS - 2
VL - 53
SN - 1063-7745
SN - 1562-689X
ER -
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BibTex (up to 50 authors)
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@article{2008_Nelyubina,
author = {Yu V Nelyubina and K.A. Lyssenko and M. Yu. Antipin},
title = {Estimation of the energy of coordination K-O bonds in a potassium hydrophthalate crystal on the basis of electron-density distribution analysis},
journal = {Crystallography Reports},
year = {2008},
volume = {53},
publisher = {Pleiades Publishing},
month = {mar},
url = {http://link.springer.com/10.1134/S1063774508020053},
number = {2},
pages = {192--198},
doi = {10.1134/s1063774508020053}
}
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MLA
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Nelyubina, Yu. V., et al. “Estimation of the energy of coordination K-O bonds in a potassium hydrophthalate crystal on the basis of electron-density distribution analysis.” Crystallography Reports, vol. 53, no. 2, Mar. 2008, pp. 192-198. http://link.springer.com/10.1134/S1063774508020053.
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