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Issue 42, 2015
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Copper(ii) tetrafluoroborate complexes with the N3,N4-bridging coordination of 1-(tert-butyl)-1H-tetrazole: synthesis, crystal structure and magnetic properties

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Abstract

1-(tert-Butyl)-1H-tetrazole (L) reacts with copper(II) tetrafluoroborate hexahydrate to give the complexes [Cu2L8(H2O)2](BF4)4 (1) or [Cu3L6(H2O)6](BF4)6 (2) depending on the reaction conditions. These complexes, as well as compound L, were characterized using single crystal X-ray analysis. Complex 1 was found to comprise a dinuclear complex cation [Cu2L8(H2O)2]4+ (the Ci symmetry point group), with six tetrazole ligands L showing monodentate N4-coordination, and two ligands L providing two tetrazole ring N3,N4 bridges between the copper(II) cations; water molecules complete the distorted octahedral coordination of the metal ions. Complex 2 includes a linear trinuclear complex cation [Cu3L6(H2O)6]6+ (the S6 symmetry point group), in which neighbouring copper(II) cations are linked by three ligands L via tetrazole ring N3,N4 bridges; central and terminal metal ions show octahedral CuN6 and CuN3O3 coordination cores, respectively. The temperature-dependent magnetic susceptibility measurements of complex 2 revealed that the copper(II) ions were weakly ferromagnetically coupled showing a coupling constant J of 2.2 cm−1 {H = −2J(S1S2 + S2S3)}. The quantum-chemical investigation of the electronic structure and basicity of ligand L was carried out.

Graphical abstract: Copper(ii) tetrafluoroborate complexes with the N3,N4-bridging coordination of 1-(tert-butyl)-1H-tetrazole: synthesis, crystal structure and magnetic properties

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Publication details

The article was received on 27 Jul 2015, accepted on 21 Sep 2015 and first published on 23 Sep 2015


Article type: Paper
DOI: 10.1039/C5DT02871J
Dalton Trans., 2015,44, 18518-18526

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    Copper(II) tetrafluoroborate complexes with the N3,N4-bridging coordination of 1-(tert-butyl)-1H-tetrazole: synthesis, crystal structure and magnetic properties

    M. M. Degtyarik, A. S. Lyakhov, L. S. Ivashkevich, V. E. Matulis, V. E. Matulis, S. Gruschinski, S. V. Voitekhovich, B. Kersting and O. A. Ivashkevich, Dalton Trans., 2015, 44, 18518
    DOI: 10.1039/C5DT02871J

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