An Unusual Coordination of a 4-Azopyrazol-5-one heterocyclic Derivative with Metals. Synthesis,
X-ray Studies, Spectroscopic Characteristics, and Theoretical Modeling
Научная публикация
| Общее |
Язык:
Английский,
Жанр:
Статья (Full article),
Статус опубликования:
Опубликована,
Оригинальность:
Оригинальная
|
| Журнал |
Inorganica Chimica Acta
ISSN: 0020-1693
, E-ISSN: 1873-3255
|
| Вых. Данные |
Год: 2017,
Том: 466,
Страницы: 266-273
Страниц
: 8
DOI:
10.1016/j.ica.2017.06.036
|
| Ключевые слова |
4-Azopyrazol-5-one derivatives; Crystal structure; Unusual coordination; Spectroscopic characteristics; Stability in solutions |
| Авторы |
Kovalchukova Olga V.
1,2
,
Dorovatovskii Pavel V.
3
,
Zubavichus Yan V.
3
,
Bozhenko Konstantin V.
4
,
Utenyshev Andrey N.
4
,
Alabada Rusul
5
,
Volyansky Oleg V.
2
,
Khrustalev Victor N.
6,7
|
| Организации |
| 1 |
Department of General Chemistry, Peoples’ Friendship University of Russia
|
| 2 |
Department of Organic Chemistry, Moscow State University of Design and Technology
|
| 3 |
National Research Center ‘‘Kurchatov Institute”
|
| 4 |
Institute of Problems of Chemical Physics of the Russian Academy of Sciences (IPCP RAS)
|
| 5 |
Department of Chemistry, Al Muthanna University, Muthanna State, Samawah 66001, Iraq
|
| 6 |
Department of Inorganic Chemistry, Peoples’ Friendship University of Russia
|
| 7 |
X-ray Structural Center, Nesmeyanov Institute of Organoelement Compounds of RAS
|
|
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.