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

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.

Авторы
Shikhaliyev N.G.1 , Maharramov A.M. 1 , Bagirova K.N.1 , Suleymanova G.T.1 , Tsyrenova B.D.2 , Nenajdenko V.G. 2 , Novikov A.S.3 , Khrustalev V.N. 4, 5 , Tskhovrebov A.G. 4, 6
Издательство
Royal Society of Chemistry
Номер выпуска
2
Язык
Английский
Страницы
191-193
Статус
Опубликовано
Том
31
Год
2021
Организации
  • 1 Baku State University
  • 2 Department of Chemistry|M. V. Lomonosov Moscow State University
  • 3 St. Petersburg State University
  • 4 Peoples Friendship University of Russia (RUDN University)
  • 5 N. D. Zelinsky Institute of Organic Chemistry|Russian Academy of Sciences
  • 6 N. N. Semenov Federal Research Center for Chemical Physics|Russian Academy of Sciences
Ключевые слова
azo dyes; crystal engineering; dft; halogen bonding; Noncovalent interactions; QTAIM
Цитировать
Поделиться

Другие записи

Хейфец Б.А., Чернова В.Ю.
Россия и современный мир. Федеральное государственное бюджетное учреждение науки Институт научной информации по общественным наукам Российской академии наук. 2021. С. 100-120