Nature of weak inter- and intramolecular contacts in crystals 2. Character of electron delocalization and the nature of X—H...H—X (X = C, B) contacts in the crystal of 1-phenyl-o-carborane
Publication type: Journal Article
Publication date: 2005-03-01
scimago Q3
SJR: 0.305
CiteScore: 2.8
Impact factor: —
ISSN: 10665285, 15739171
General Chemistry
Abstract
High-resolution single crystal X-ray study of 1-phenyl-o-carborane was carried out and the experimental and theoretical (B3LYP/6-311G** calculated) electron density distributions in the title compound were investigated. Character of electron delocalization in 1-phenyl-o-carborane was examined by analyzing the deformation electron density maps, maps of the Laplacian of the electron density, and maps of the electron localization function. Crystal-structure-forming X—H...H—X (X = C, B) intermolecular contacts were revealed and analyzed. The energies and geometric parameters of these contacts were compared with the results of quantum chemical calculations of the crystal structure and with characteristics of the same type of intramolecular contacts.
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Total citations:
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Citations from 2025:
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(4.88%)
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GOST
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Glukhov I. et al. Nature of weak inter- and intramolecular contacts in crystals 2. Character of electron delocalization and the nature of X—H...H—X (X = C, B) contacts in the crystal of 1-phenyl-o-carborane // Russian Chemical Bulletin. 2005. Vol. 54. No. 3. pp. 547-559.
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Glukhov I., Lyssenko K., Korlyukov A. A., Antipin M. Y. Nature of weak inter- and intramolecular contacts in crystals 2. Character of electron delocalization and the nature of X—H...H—X (X = C, B) contacts in the crystal of 1-phenyl-o-carborane // Russian Chemical Bulletin. 2005. Vol. 54. No. 3. pp. 547-559.
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TY - JOUR
DO - 10.1007/s11172-005-0289-1
UR - https://doi.org/10.1007/s11172-005-0289-1
TI - Nature of weak inter- and intramolecular contacts in crystals 2. Character of electron delocalization and the nature of X—H...H—X (X = C, B) contacts in the crystal of 1-phenyl-o-carborane
T2 - Russian Chemical Bulletin
AU - Glukhov, I.V.
AU - Lyssenko, K.A.
AU - Korlyukov, A. A.
AU - Antipin, M. Yu.
PY - 2005
DA - 2005/03/01
PB - Springer Nature
SP - 547-559
IS - 3
VL - 54
SN - 1066-5285
SN - 1573-9171
ER -
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@article{2005_Glukhov,
author = {I.V. Glukhov and K.A. Lyssenko and A. A. Korlyukov and M. Yu. Antipin},
title = {Nature of weak inter- and intramolecular contacts in crystals 2. Character of electron delocalization and the nature of X—H...H—X (X = C, B) contacts in the crystal of 1-phenyl-o-carborane},
journal = {Russian Chemical Bulletin},
year = {2005},
volume = {54},
publisher = {Springer Nature},
month = {mar},
url = {https://doi.org/10.1007/s11172-005-0289-1},
number = {3},
pages = {547--559},
doi = {10.1007/s11172-005-0289-1}
}
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MLA
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Glukhov, I.V., et al. “Nature of weak inter- and intramolecular contacts in crystals 2. Character of electron delocalization and the nature of X—H...H—X (X = C, B) contacts in the crystal of 1-phenyl-o-carborane.” Russian Chemical Bulletin, vol. 54, no. 3, Mar. 2005, pp. 547-559. https://doi.org/10.1007/s11172-005-0289-1.
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