Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Supramolecular organic frameworks derived from bromoaryl-substituted dichlorodiazabutadienes via Cl···Br halogen bonding. / Shikhaliyev, Namiq G.; Maharramov, Abel M.; Bagirova, Khanim N.; Suleymanova, Gulnar T.; Tsyrenova, Biligma D.; Nenajdenko, Valentine G.; Novikov, Alexander S.; Khrustalev, Victor N.; Tskhovrebov, Alexander G.
в: Mendeleev Communications , Том 31, № 2, 01.03.2021, стр. 191-193.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Supramolecular organic frameworks derived from bromoaryl-substituted dichlorodiazabutadienes via Cl···Br halogen bonding
AU - Shikhaliyev, Namiq G.
AU - Maharramov, Abel M.
AU - Bagirova, Khanim N.
AU - Suleymanova, Gulnar T.
AU - Tsyrenova, Biligma D.
AU - Nenajdenko, Valentine G.
AU - Novikov, Alexander S.
AU - Khrustalev, Victor N.
AU - Tskhovrebov, Alexander G.
N1 - Publisher Copyright: © 2021 Copyright: Copyright 2021 Elsevier B.V., All rights reserved.
PY - 2021/3/1
Y1 - 2021/3/1
N2 - 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.
AB - 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.
KW - azo dyes
KW - crystal engineering
KW - DFT
KW - halogen bonding
KW - non-covalent interactions
KW - QTAIM
UR - http://www.scopus.com/inward/record.url?scp=85104965350&partnerID=8YFLogxK
U2 - 10.1016/j.mencom.2021.03.015
DO - 10.1016/j.mencom.2021.03.015
M3 - Article
AN - SCOPUS:85104965350
VL - 31
SP - 191
EP - 193
JO - Mendeleev Communications
JF - Mendeleev Communications
SN - 0959-9436
IS - 2
ER -
ID: 77245478