A Novel N(3),N(4)-Bridging Coordination Mode of 1-R-Tetrazole-5-thiolates - Synthesis, X-ray Diffraction, Magnetic Properties and Quantum-Chemical Study of a Macrocyclic Dinickel Complex Coligated by 1-Methyltetrazole-5-thiolate
作者： Sergei V. Voitekhovich , Ronny Syre , Jochen Lach , Vadim E. Matulis , Pavel N. Gaponik
关键词: Tetrazole 、 Metathesis 、 Infrared spectroscopy 、 Nickel 、 X-ray crystallography 、 Chemistry 、 Crystallography 、 Triethylamine 、 Magnetic susceptibility 、 Octahedron 、 Inorganic chemistry
摘要: The dinuclear nickel(II) complex [Ni 2 L(μ-ClO 4 )]ClO , where L 2- represents a 24-membered macrocyclic bis(triamine-thiophenolate) ligand, reacts with 1-methyltetrazole-5-thiol and triethylamine to give the L(μ-SCN Me)]ClO which was subjected metathesis NaBPh yielding Me)]BPh . This new characterized by elemental analysis, UV/Vis/NIR IR spectroscopy. structure of determined X-ray crystallography, showing 1-methyltetrazole-5-thiolate ligand in an N(3),N(4)-bridging mode generating bis(octahedral) N 3 Ni(μ-S) (μ-SCN Me)NiN core. Quantum chemical calculations molecular electrostatic potential, natural population analysis total energies possible structures Me)] + are agreement structural data obtained. Temperature-dependent magnetic susceptibility measurements revealed that Ni II ions weakly ferromagnetically coupled coupling constant J 19.5 cm -1 (H = -2JS 1 S ).
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