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Issue 32, 2009
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Structure, magnetism and DFT studies of dinuclear and chain complexes containing the tetrazolate-5-carboxylate multidentate bridging ligand

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Abstract

The reaction of K2TzC (H2TzC = tetrazole-5-carboxylic acid) and either MnCl2·4H2O or CuCl2·2H2O under hydrothermal conditions leads to the formation of three new polynuclear complexes of formula [Mn(TzC)(H2O)2]n1 and [M2(TzC)2(H2O)6nH2O (M = Mn(II) 2, n = 4 and Cu(II) 3, n = 2). Complex 1 displays a 1D planar zig-zag chain structure where the ligand is disorderd into two positions and exhibits two μ3-chelating/bridging tetradentate coordination modes, one through the two carboxylate oxygen atoms and the neighbouring nitrogen atom of the tetrazolate ring and the other one through three neighboring nitrogen atoms belonging to the tetrazole ring and one of the carboxylate oxygen atoms. The structure of 2 and 3 consists of centrosymmetric dinuclear molecules, in which the ligands exhibit a μ2-chelating/bridging coordination mode through one of the carboxylate oxygen atoms and two neighbouring nitrogen atoms of the tetrazolate ring, generating a planar M(N-N)2M hexagon. Variable-temperature magnetic susceptibility studies reveal a weak antiferromagnetic interaction for 1 (J = −1.5 cm−1). In spite of the coplanarity of the tetrazolate and metal coordination planes in 2 and 3, they exhibit very weak antiferromagnetic interactions. DFT calculations have been performed in order to explain this unexpected magnetic behaviour.

Graphical abstract: Structure, magnetism and DFT studies of dinuclear and chain complexes containing the tetrazolate-5-carboxylate multidentate bridging ligand

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Publication details

The article was received on 22 Jan 2009, accepted on 18 May 2009 and first published on 30 Jun 2009


Article type: Paper
DOI: 10.1039/B901415B
Citation: Dalton Trans., 2009,0, 6335-6344
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    Structure, magnetism and DFT studies of dinuclear and chain complexes containing the tetrazolate-5-carboxylate multidentate bridging ligand

    A. Rodríguez-Diéguez, A. J. Mota, J. Cano, J. Ruiz, D. Choquesillo-Lazarte and E. Colacio, Dalton Trans., 2009, 0, 6335
    DOI: 10.1039/B901415B

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