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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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Supplementary files

Article information


Submitted
27 Jul 2015
Accepted
21 Sep 2015
First published
23 Sep 2015

Dalton Trans., 2015,44, 18518-18526
Article type
Paper

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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