Open Access
The common trends for the halogen, chalcogen, and pnictogen bonds via sorting principles and local bonding properties
Yury V Matveychuk
1
,
Svetlana E Mukhitdinova
1
,
Sergey A Sobalev
1
,
Maria G Khrenova
2, 3
,
Vladimir G. Tsirelson
1, 4
Тип публикации: Journal Article
Дата публикации: 2020-01-14
scimago Q3
wos Q4
БС3
SJR: 0.298
CiteScore: 2.8
Impact factor: 1.5
ISSN: 1432881X, 14322234
Physical and Theoretical Chemistry
Краткое описание
We disclose the common trends for relationships between the binding energy and the local electronic properties at the bond critical points of electron density for the halogen, chalcogen, and pnictogen bonds in molecular complexes. Variations in the sorting principles for noncovalent bonds in which the electrophilic site delivered by the P, As, S, Se, Cl, Br atoms are studied. Electronic kinetic and potential energy densities give regularly changing parameters in the single-factor models «binding energy versus local electronic property» only if a sort of electrophilic site provider is fixed. In contrast, the electrostatic potential and the potential acting on an electron in a molecule lead to the common trends only if the nucleophilic molecule is fixed. The behavior of parameters in the single-factor models was also studied under the different sorting principles of noncovalent bonds in samples.
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Bartashevich E. et al. The common trends for the halogen, chalcogen, and pnictogen bonds via sorting principles and local bonding properties // Theoretical Chemistry Accounts. 2020. Vol. 139. No. 2. 26
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Bartashevich E., Matveychuk Y. V., Mukhitdinova S. E., Sobalev S. A., Khrenova M. G., Tsirelson V. G. The common trends for the halogen, chalcogen, and pnictogen bonds via sorting principles and local bonding properties // Theoretical Chemistry Accounts. 2020. Vol. 139. No. 2. 26
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TY - JOUR
DO - 10.1007/s00214-019-2534-y
UR - https://doi.org/10.1007/s00214-019-2534-y
TI - The common trends for the halogen, chalcogen, and pnictogen bonds via sorting principles and local bonding properties
T2 - Theoretical Chemistry Accounts
AU - Bartashevich, Ekaterina
AU - Matveychuk, Yury V
AU - Mukhitdinova, Svetlana E
AU - Sobalev, Sergey A
AU - Khrenova, Maria G
AU - Tsirelson, Vladimir G.
PY - 2020
DA - 2020/01/14
PB - Springer Nature
IS - 2
VL - 139
SN - 1432-881X
SN - 1432-2234
ER -
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@article{2020_Bartashevich,
author = {Ekaterina Bartashevich and Yury V Matveychuk and Svetlana E Mukhitdinova and Sergey A Sobalev and Maria G Khrenova and Vladimir G. Tsirelson},
title = {The common trends for the halogen, chalcogen, and pnictogen bonds via sorting principles and local bonding properties},
journal = {Theoretical Chemistry Accounts},
year = {2020},
volume = {139},
publisher = {Springer Nature},
month = {jan},
url = {https://doi.org/10.1007/s00214-019-2534-y},
number = {2},
pages = {26},
doi = {10.1007/s00214-019-2534-y}
}