Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals
Тип публикации: Journal Article
Дата публикации: 2015-12-02
scimago Q3
wos Q2
БС3
SJR: 0.341
CiteScore: 4.3
Impact factor: 2.2
ISSN: 10400400, 15729001
Physical and Theoretical Chemistry
Condensed Matter Physics
Краткое описание
Abstract
Analysis of iodine-derived chalcogenazolo(ino)quinolinium mono- and triiodides shows that the covalently bonded iodine atoms in the fragments C(sp2)–I and C(sp3)–I differ significantly in iodide–iodine halogen bonding ability. The local and integrated characteristics of kinetic, potential, and total electronic energy for C–I covalent bond have been examined. It has been found that both delocalization indices of iodine covalent bond and the total electronic energy density integrated over carbon–iodine interatomic surface can be used as quantitative criteria of iodine-derived cation ability to form the halogen bond with triiodide anion in crystals.
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Bartashevich E. V. et al. Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals // Structural Chemistry. 2015. Vol. 27. No. 1. pp. 305-313.
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Bartashevich E. V., Nasibullina S. E., Bolshakov O. I., Tsirelson V. G. Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals // Structural Chemistry. 2015. Vol. 27. No. 1. pp. 305-313.
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TY - JOUR
DO - 10.1007/S11224-015-0714-5
UR - https://doi.org/10.1007/S11224-015-0714-5
TI - Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals
T2 - Structural Chemistry
AU - Bartashevich, E. V.
AU - Nasibullina, S E
AU - Bolshakov, O I
AU - Tsirelson, V. G.
PY - 2015
DA - 2015/12/02
PB - Springer Nature
SP - 305-313
IS - 1
VL - 27
SN - 1040-0400
SN - 1572-9001
ER -
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@article{2015_Bartashevich,
author = {E. V. Bartashevich and S E Nasibullina and O I Bolshakov and V. G. Tsirelson},
title = {Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals},
journal = {Structural Chemistry},
year = {2015},
volume = {27},
publisher = {Springer Nature},
month = {dec},
url = {https://doi.org/10.1007/S11224-015-0714-5},
number = {1},
pages = {305--313},
doi = {10.1007/S11224-015-0714-5}
}
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Bartashevich, E. V., et al. “Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals.” Structural Chemistry, vol. 27, no. 1, Dec. 2015, pp. 305-313. https://doi.org/10.1007/S11224-015-0714-5.