Structural study of semi-coordination in a seven-coordinate copper(II) complex: distortion isomerism of [Cu(CH3COO)2(4-aminopyridine)2(H2O)]

Autor:	V. Lukeš, Jerzy Mroziński, Tadeusz Głowiak, Fedor Valach, R. Grobelny, Z. Blahová
Rok vydání:	2010
Předmět:	Denticity Infrared chemistry.chemical_element Crystal structure Copper chemistry.chemical_compound Crystallography Pentagonal bipyramidal molecular geometry chemistry Group (periodic table) Materials Chemistry Carboxylate Physical and Theoretical Chemistry Monoclinic crystal system
Zdroj:	Journal of Coordination Chemistry. 63:1645-1651
ISSN:	1029-0389 0095-8972
Popis:	[Di(acetato)bis(4-aminopyridine)aquacopper(II)] exists in two different monoclinic forms. The crystal structure of Form 1, which crystallizes in space group P21/c, was determined by X-ray crystallography. Experimental data was then compared with that found for Form 2, which crystallizes in space group C2/c. The seven-coordinate environment of copper in both forms is consistent with the bond-valence model. The asymmetric copper(II) coordination of Form 1 is consistent with the density-functional theory. The isomers differ in distortion of the pentagonal bipyramid as the coordination polyhedron around Cu. Carboxylate groups for both isomers are bonded to copper as bidentate ligands. The Cu in Form 1 is semi-coordinated by two long carboxylate O bonds to create the seven-coordinate environment (Cu···O distances are 2.785(4) and 2.9996(5) A). Infrared and electron spin resonance spectra of both isomers are consistent with their crystal structures.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::bec905eb9c0290422b4e5872978fa823 https://doi.org/10.1080/00958972.2010.489204 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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