Synthesis and characterization of a series of novel metal complexes of N-heterocyclic azo-colorants derived from 4-azo-pyrazol-5-one

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• 作者：Olga V. Kovalchukova^a ; ^{kovalchukova_ov@pfur.ru} ; Mikhael A. Ryabov^a ; Pavel V. Dorovatovskii^b ; Yan V. Zubavichus^b ; Andrey N. Utenyshev^c ; Dmitry N. Kuznetsov^d ; Oleg V. Volyansky^d ; Violetta K. Voronkova^e ; Victor N. Khrustalev^f
• 关键词：Heteroaryl azo dyes ; Metal complexes ; X-ray structural analysis ; Spectroscopic characteristics ; Quantum chemistry
• 刊名：Polyhedron
• 出版年：2017
• 出版时间：10 January 2017
• 年：2017
• 卷：121
• 期：Complete
• 页码：41-52
• 全文大小：2189 K
• 卷排序：121

文摘

A series of novel metal complexes of Cu(II), Co(II), Ni(II), and Zn(II) with three N-heterocyclic derivatives of 4-azo-pyrazol-5-one were isolated and identified by FT IR, 1H NMR, ESR, and UV–Vis spectroscopy. The crystallographic data for a sodium salt as well as Co(II) and Cu(II) complexes were obtained. Formation constants of the complexes in ethanol aqueous solutions were calculated. Structures of yet unstudied metal complexes were proposed based on quantum-chemical modeling at the DFT/B3LYP level.