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The Isocyanide Complexes cis-[MCl2(CNC6H4-4-X)2] (M = Pd, Pt; X = Cl, Br) as Tectons in Crystal Engineering Involving Halogen Bonds
Тип публикации: Journal Article
Дата публикации: 2021-07-08
scimago Q2
wos Q2
БС2
SJR: 0.486
CiteScore: 5.0
Impact factor: 2.4
ISSN: 20734352, 01725076
Inorganic Chemistry
General Chemical Engineering
Condensed Matter Physics
General Materials Science
Краткое описание
The isocyanide complexes cis-[MCl2(CNC6H4-4-X)2] (M = Pd; X = Cl, Br; M = Pt; X = Br) form isomorphous crystal structures exhibiting the Cl/Br and Pd/Pt exchanges featuring 1D chains upon crystallisation. Crystal packing is supported by the C–X···X–C halogen bonds (HaBs), C–H···X–C hydrogen bonds (HB), X···M semicoordination, and C···C contacts between the C atoms of aryl isocyanide ligands. The results of DFT calculations and topological analysis indicate that all the above contact types belong to attractive noncovalent interactions. A projection of the electron localization function (ELF) and an inspection of the electron density (ED) and the electrostatic potential (ESP) reveal the amphiphilic nature of X atoms playing the role of HaB donors, HaB and HB acceptors, and a nucleophilic partner in X···M semicoordination.
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Kashina M. V., Ivanov D. M., Kinzhalov M. A. The Isocyanide Complexes cis-[MCl2(CNC6H4-4-X)2] (M = Pd, Pt; X = Cl, Br) as Tectons in Crystal Engineering Involving Halogen Bonds // Crystals. 2021. Vol. 11. No. 7. p. 799.
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Kashina M. V., Ivanov D. M., Kinzhalov M. A. The Isocyanide Complexes cis-[MCl2(CNC6H4-4-X)2] (M = Pd, Pt; X = Cl, Br) as Tectons in Crystal Engineering Involving Halogen Bonds // Crystals. 2021. Vol. 11. No. 7. p. 799.
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TY - JOUR
DO - 10.3390/cryst11070799
UR - https://doi.org/10.3390/cryst11070799
TI - The Isocyanide Complexes cis-[MCl2(CNC6H4-4-X)2] (M = Pd, Pt; X = Cl, Br) as Tectons in Crystal Engineering Involving Halogen Bonds
T2 - Crystals
AU - Kashina, Maria V
AU - Ivanov, Daniil M
AU - Kinzhalov, M. A.
PY - 2021
DA - 2021/07/08
PB - MDPI
SP - 799
IS - 7
VL - 11
SN - 2073-4352
SN - 0172-5076
ER -
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@article{2021_Kashina,
author = {Maria V Kashina and Daniil M Ivanov and M. A. Kinzhalov},
title = {The Isocyanide Complexes cis-[MCl2(CNC6H4-4-X)2] (M = Pd, Pt; X = Cl, Br) as Tectons in Crystal Engineering Involving Halogen Bonds},
journal = {Crystals},
year = {2021},
volume = {11},
publisher = {MDPI},
month = {jul},
url = {https://doi.org/10.3390/cryst11070799},
number = {7},
pages = {799},
doi = {10.3390/cryst11070799}
}
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Kashina, Maria V., et al. “The Isocyanide Complexes cis-[MCl2(CNC6H4-4-X)2] (M = Pd, Pt; X = Cl, Br) as Tectons in Crystal Engineering Involving Halogen Bonds.” Crystals, vol. 11, no. 7, Jul. 2021, p. 799. https://doi.org/10.3390/cryst11070799.
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