Synthesis, spectroscopy, magnetism, and X-ray structures of hexakis(1-(2-chloroethyl)-tetrazole-N4)copper(II) salts |
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Authors: | Arno F. Stassen Huub Kooijman Anthony L. Spek Jaap G. Haasnoot Jan Reedijk |
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Affiliation: | (1) Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands;(2) Bijvoet Center for Biomolecular Research, Crystal and Structural Chemistry, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands |
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Abstract: | The compounds hexakis(1-(2-chloroethyl)-tetrazole-N4)copper(II) tetrafluoroborate mono(1-(2-chloroethyl)-tetrazole) (1) and hexakis(1-(2-chloroethyl)-tetrazole-N4) copper(II) perchlorate mono(1-(2-chloroethyl)-tetrazole) (2) were obtained from the crystallization of 1-(2-chloroethyl)-tetrazole (teec) with the respective copper salt. The X-ray structures are reported. Both compounds crystallize in the monoclinic space group C2/c for 1: a = 25.754(3) Å, b = 18.162(3) Å, c = 10.298(2) Å = 104.294(7)° and Z = 4 and for 2: a = 25.745(3) Å, b = 18.197(3) Å, c = 10.29355(3) Å = 104.512(10)° and Z = 4. The CuII ions are octahedrally surrounded by six teec ligands. One free teec ligand is present in the structures. The Cu–N distances in the centrosymmetrical units are 2.01, 2.04, and 2.39 Å in both compounds, consistent with a Jahn–Teller elongated octahedron. The ligand field spectra of both compounds show a signal in the visible range at about 15.200 cm–1 and by an EPR spectrum the following values are found: g| = 2.29 and g = 2.03. The compounds are both paramagnetic and the T value of 0.37 cm–1 K mol–1, which is associated with S = 1/2, is what would be expected for a mononuclear CuII complex. |
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Keywords: | copper(II) tetrazole magnetic susceptibility |
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