Metal-Involving Bifurcated Halogen Bonding C–Br···η2(Cl–Pt)
Publication type: Journal Article
Publication date: 2018-12-14
scimago Q2
wos Q1
SJR: 0.633
CiteScore: 5.6
Impact factor: 3.4
ISSN: 15287483, 15287505
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract
The complexes trans-[PtCl2(NCNR2)2] (R2 = Me2 1, Et2 2, (CH2)4 3) were cocrystallized with CBr4 in CHCl3 (1 and 3) or in MeNO2 (2) forming adducts 1·CHCl3·CBr4, 2·2CBr4, and 3·2CBr4, respectively. In two out of three adducts, viz. 1·CHCl3·CBr4 and 2·2CBr4, unique Br3C–Br···η2(Cl–Pt) metal-involving bifurcated halogen bonding was detected, by single-crystal XRD, along with other halomethane–chloride interactions. Appropriate density functional theory calculations performed by two complementary methodologies, (i) single-point “quasi-solid state” calculations with topological analysis of the electron density distribution within the framework of Bader theory (QTAIM method) and (ii) Kohn–Sham calculations with periodic boundary conditions, confirmed the existence of the bifurcated interactions and their noncovalent nature. Estimated energies of these interactions vary from 1.1 to 4.7 kcal/mol.
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62
Total citations:
62
Citations from 2024:
9
(14%)
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GOST
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Dabranskaya U. et al. Metal-Involving Bifurcated Halogen Bonding C–Br···η2(Cl–Pt) // Crystal Growth and Design. 2018. Vol. 19. No. 2. pp. 1364-1376.
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Dabranskaya U., Ivanov D. M., Novikov A. S., Matveychuk Y. V., Bokach N. A., Kukushkin V. Y. Metal-Involving Bifurcated Halogen Bonding C–Br···η2(Cl–Pt) // Crystal Growth and Design. 2018. Vol. 19. No. 2. pp. 1364-1376.
Cite this
RIS
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TY - JOUR
DO - 10.1021/acs.cgd.8b01757
UR - https://doi.org/10.1021/acs.cgd.8b01757
TI - Metal-Involving Bifurcated Halogen Bonding C–Br···η2(Cl–Pt)
T2 - Crystal Growth and Design
AU - Dabranskaya, Uladzislava
AU - Ivanov, Daniil M
AU - Novikov, Alexander S.
AU - Matveychuk, Y. V.
AU - Bokach, Nadezhda A.
AU - Kukushkin, Vadim Yu.
PY - 2018
DA - 2018/12/14
PB - American Chemical Society (ACS)
SP - 1364-1376
IS - 2
VL - 19
SN - 1528-7483
SN - 1528-7505
ER -
Cite this
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@article{2018_Dabranskaya,
author = {Uladzislava Dabranskaya and Daniil M Ivanov and Alexander S. Novikov and Y. V. Matveychuk and Nadezhda A. Bokach and Vadim Yu. Kukushkin},
title = {Metal-Involving Bifurcated Halogen Bonding C–Br···η2(Cl–Pt)},
journal = {Crystal Growth and Design},
year = {2018},
volume = {19},
publisher = {American Chemical Society (ACS)},
month = {dec},
url = {https://doi.org/10.1021/acs.cgd.8b01757},
number = {2},
pages = {1364--1376},
doi = {10.1021/acs.cgd.8b01757}
}
Cite this
MLA
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Dabranskaya, Uladzislava, et al. “Metal-Involving Bifurcated Halogen Bonding C–Br···η2(Cl–Pt).” Crystal Growth and Design, vol. 19, no. 2, Dec. 2018, pp. 1364-1376. https://doi.org/10.1021/acs.cgd.8b01757.