Synthesis,structural characterization and reactivity of copper(I)-nitrile complexes: Crystal and molecular structure of [Cu(BzCN)4][BF4] |
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| Authors: | Viviane A.S. Falcomer,Sebastiã o S. Lemos,Guilherme B.C. Martins,Gleison A. Casagrande,Robert A. Burrow,Ernesto S. Lang |
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| Affiliation: | 1. Instituto de Química, Universidade de Brasília, 70904-970 Brasília – DF, Brazil;2. Departamento de Química, Universidade Federal de Santa Maria, 97105-900 Santa Maria – RS, Brazil |
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| Abstract: | Complexes of general formula [CuL4][BF4] (L = benzonitrile – PhCN 2 or phenylacetonitrile – BzCN 3) have been prepared and structurally characterized by NMR spectroscopy and X-ray crystallography. Their structure and reactivity have been compared to the well known [Cu(MeCN)4][BF4] (1). The 63Cu line width and the 63Cu chemical shift have been evaluated by varying the temperature and the concentration of the complex 2 in benzonitrile solutions. The phenylacetonitrile solutions of the complex 3 give extremely broad signals which are beyond detection. Accordingly, compound 3 has been studied by 63Cu MAS NMR spectroscopy. The solution NMR data are consistent to the prevalence of dynamic equilibrium between tetra- and low-coordinated species in both complexes. The X-ray structure of 3 revealed that the copper(I) atom sits in a slightly distorted tetrahedral geometry, surrounded by four BzCN ligands. |
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| Keywords: | Copper(I)-nitrile complexes 63Cu NMR spectroscopy 63Cu MAS NMR spectroscopy X-ray structure Dynamic equilibrium |
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