Two new Ni(II) Schiff base complexes: X-ray absolute structure determination,synthesis of a N-labelled complex and full assignment of its H NMR and C NMR spectra |
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| Authors: | Vratislav Langer Alexander Popkov Milan Nádvorník Antonín Lyčka |
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| Institution: | 1. Environmental Inorganic Chemistry, Department of Chemical and Biological Engineering, Chalmers University of Technology, SE-412 96 Göteborg, Sweden;2. Department of Nuclear Medicine and Molecular Imaging, University Medical Center, P.O. Box 30.001, 9700 RB Groningen, The Netherlands;3. Department of General and Inorganic Chemistry, Faculty of Chemical Technology, Pardubice University, CZ-532 10 Pardubice, Czech Republic;4. Research Institute for Organic Syntheses, Rybitví 296, CZ-532 18 Pardubice 20, Czech Republic |
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| Abstract: | The Ni(II) complex of the Schiff base of (S)-N-(2-benzoyl-4-chlorophenyl)-1-benzylpyrrolidine-2-carboxamide and glycine (1) GKCl] and the hemihydrate of the Ni(II) complex of the Schiff base of (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide and 2-aminoisobutiric acid (2) Me2GK] were prepared and their absolute structures determined. The conformations of the complexes and their hydrogen bonding are discussed in detail. In complex 2, the repulsion between the benzyl group and an equatorial methyl group should affect the conformation of the benzyl group, distribution of the π-electron density in this group and distortion of the internal coordination sphere, while for complex 1, only minor conformational changes were expected. 1H and 13C NMR data for the 15N-labelled complex 2 were acquired and fully assigned in order to study the influence of π-electron density of the benzyl group to the long-range 13C–15N and 13C–13C spin–spin interactions. |
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| Keywords: | Complexes Crystal structure NMR spectra Spin&ndash spin interactions |
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