Molecular, crystal, and electronic structure of the cobalt(II) complex with 10-(2-benzothiazolylazo)-9-phenanthrol

The reaction of 10-(2-benzothiazolylazo)-9-phenanthrol (HL) with cobalt(II) acetate gives the coordination compound [CoL 2] · CHCl 3 (I). The molecular and crystal structure of I is determined by X-ray diffraction. The coordination polyhedron of the Co atom in complex I is an octahedron. The anion L acts as a tridentate chelating ligand and is coordinated to the Co atom through the phenanthrenequinone O1 atom and the benzothiazole N1 atom of the moieties L and the N3 atom of the azo group to form two five-membered metallocycles. The molecular and electronic structures of the compounds HL, L, and CoL 2 are studied at the density functional theory level. The results of the quantum-chemical calculations are in good agreement with the values determined by X-ray diffraction. © 2013 Pleiades Publishing, Ltd.

Авторы
Linko R.V. 1 , Sokol V.I.2 , Polyanskaya N.A. 1 , Ryabov M.A. 1 , Strashnov P.V. 1 , Davydov V.V. 1 , Sergienko V.S.2
Редакторы
-
Издательство
-
Номер выпуска
3
Язык
Английский
Страницы
427-436
Статус
Опубликовано
Подразделение
-
Номер
-
Том
58
Год
2013
Организации
  • 1 Peoples' Friendship University of Russia, ul. Miklukho-Maklaya 6, Moscow 117198, Russian Federation
  • 2 Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow 119991, Russian Federation
Ключевые слова
Benzothiazoles; Chelating ligands; Cobalt acetate; Cobalt complexes; Coordination compounds; Coordination polyhedra; Phenanthrenequinone; Quantum-chemical calculation; Atoms; Cobalt; Coordination reactions; Density functional theory; Electronic structure; Quantum chemistry; X ray diffraction; Cobalt compounds
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/2085/