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Supramolecular organic frameworks derived from bromoaryl-substituted dichlorodiazabutadienes via Cl···Br halogen bonding

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Shikhaliyev N. G. et al. Supramolecular organic frameworks derived from bromoaryl-substituted dichlorodiazabutadienes via Cl···Br halogen bonding // Mendeleev Communications. 2021. Vol. 31. No. 2. pp. 191-193.
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Shikhaliyev N. G., Maharramov A. M., Bagirova K. N., Suleymanova G. T., Tsyrenova B. D., Nenajdenko V. G., Novikov A. S., Khrustalev V. N., Tskhovrebov A. G. Supramolecular organic frameworks derived from bromoaryl-substituted dichlorodiazabutadienes via Cl···Br halogen bonding // Mendeleev Communications. 2021. Vol. 31. No. 2. pp. 191-193.
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TY - JOUR
DO - 10.1016/j.mencom.2021.03.015
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.03.015
TI - Supramolecular organic frameworks derived from bromoaryl-substituted dichlorodiazabutadienes via Cl···Br halogen bonding
T2 - Mendeleev Communications
AU - Shikhaliyev, Namiq G
AU - Maharramov, Abel M
AU - Bagirova, Khanim N
AU - Suleymanova, Gulnar T
AU - Tsyrenova, Biligma Dashievna
AU - Nenajdenko, Valentin Georgievich
AU - Novikov, Alexander S
AU - Khrustalev, Victor Nikolaevich
AU - Tskhovrebov, Alexander G
PY - 2021
DA - 2021/03/03
PB - Mendeleev Communications
SP - 191-193
IS - 2
VL - 31
ER -
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@article{2021_Shikhaliyev,
author = {Namiq G Shikhaliyev and Abel M Maharramov and Khanim N Bagirova and Gulnar T Suleymanova and Biligma Dashievna Tsyrenova and Valentin Georgievich Nenajdenko and Alexander S Novikov and Victor Nikolaevich Khrustalev and Alexander G Tskhovrebov},
title = {Supramolecular organic frameworks derived from bromoaryl-substituted dichlorodiazabutadienes via Cl···Br halogen bonding},
journal = {Mendeleev Communications},
year = {2021},
volume = {31},
publisher = {Mendeleev Communications},
month = {Mar},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.03.015},
number = {2},
pages = {191--193},
doi = {10.1016/j.mencom.2021.03.015}
}
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Shikhaliyev, Namiq G., et al. “Supramolecular organic frameworks derived from bromoaryl-substituted dichlorodiazabutadienes via Cl···Br halogen bonding.” Mendeleev Communications, vol. 31, no. 2, Mar. 2021, pp. 191-193. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.03.015.

Keywords

azo dyes
crystal engineering
DFT
halogen bonding
non-covalent interactions
QTAIM

Abstract

1-Aryl-3-(4-bromophenyl)-4,4-dichloro-1,2-diazabuta-1,3- dienes were synthesized via copper-catalyzed reaction of 4-bromobenzaldehyde arylhydrazones with CCl4. X-ray diffraction analysis revealed non-covalent Cl···Br interactions in the crystalline state and formation of 3D supramolecular framework; DFT calculations and topological analysis of the electron density distribution within the framework of Bader's theory (QTAIM method) confirmed these observations. Theoretical calculations showed that highly polarizable dichlorodiazadiene unit is capable of acting as a relatively strong halogen bond donor.

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