An unusual coordination of a 4-azopyrazol-5-one heterocyclic derivative with metals. Synthesis, X-ray studies, spectroscopic characteristics, and theoretical modeling

A series of novel transition and rare-earth metal complexes of (Z)-4-((1-(benzo[d]thiazol-2-yl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (HL) were isolated and identified by FT IR, EPR, 1H NMR, and UV–VIS spectroscopy. The crystallographic data for [Cu2Cl3(L)(H2O)]2·1.5H2O·CH2Cl2 were obtained. The compound exists in the form of a tetranuclear species with two different metal coordination modes. The coordination polyhedra of two cations can be described as somewhat distorted tetragonal pyramids as well as two other Cu atoms of the tetrameric molecule adopt the trigonal bipyramidal coordination. The bridging chloride ligands link differently coordinated metal cations. The quantum chemical calculations indicate the existence of a ferromagnetic exchange interaction in pairs. That is in agreement with the EPR spectrum of the substance. The complex formation constants in water-ethanol solutions were determined. © 2017 Elsevier B.V.

Авторы
Kovalchukova O.V. 1, 2 , Dorovatovskii P.V.3 , Zubavichus Y.V.3 , Bozhenko K.V. 4 , Utenyshev A.N.4 , Alabada R.5 , Volyansky O.V.2 , Khrustalev V.N. 6, 7
Редакторы
-
Издательство
-
Номер выпуска
-
Язык
Английский
Страницы
266-273
Статус
Опубликовано
Подразделение
-
Номер
-
Том
466
Год
2017
Организации
  • 1 Department of General Chemistry, Peoples’ Friendship University of Russia, Moscow, 117198, Russian Federation
  • 2 Department of Organic Chemistry, Moscow State University of Design and Technology, Moscow, 117997, Russian Federation
  • 3 National Research Center “Kurchatov Institute”, Moscow, 123182, Russian Federation
  • 4 Institute of Problems of Chemical Physics of the Russian Academy of Sciences (IPCP RAS), Chernogolovka, 142432, Russian Federation
  • 5 Department of Chemistry, Al Muthanna University, Muthanna State, Samawah, 66001, Iraq
  • 6 Department of Inorganic Chemistry, Peoples’ Friendship University of Russia, Moscow, 117198, Russian Federation
  • 7 X-ray Structural Center, Nesmeyanov Institute of Organoelement Compounds of RAS, Moscow, 119991, Russian Federation
Ключевые слова
4-Azopyrazol-5-one derivatives; Crystal structure; Spectroscopic characteristics; Stability in solutions; Unusual coordination
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/5375/