1. Copper(ii) tetrafluoroborate complexes with the N3,N4-bridging coordination of 1-(tert-butyl)-1H-tetrazole: synthesis, crystal structure and magnetic properties.
- Author
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Degtyarik, Mikhail M., Lyakhov, Alexander S., Ivashkevich, Ludmila S., Matulis, Vitaly E., Matulis, Vadim E., Gruschinski, Sina, Voitekhovich, Sergei V., Kersting, Berthold, and Ivashkevich, Oleg A.
- Subjects
TETRAZOLES ,TETRAFLUOROBORATES ,SINGLE crystals ,LIGANDS (Chemistry) ,COPPER compounds ,CATIONS - Abstract
1-(tert-Butyl)-1H-tetrazole (L) reacts with copper(ii) tetrafluoroborate hexahydrate to give the complexes [Cu
2 L8 (H2 O)2 ](BF4 )4 (1) or [Cu3 L6 (H2 O)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 [Cu2 L8 (H2 O)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 [Cu3 L6 (H2 O)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 CuN3 O3 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(S1 S2 + S2 S3 )}. The quantum-chemical investigation of the electronic structure and basicity of ligand L was carried out. [ABSTRACT FROM AUTHOR]- Published
- 2015
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