Gem-diol Generation in Copper and Zinc N-methyl-2-imidazolecarboxaldehyde Complexes: Solid-state NMR,EPR and Single-Crystal X-ray Studies |
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Authors: | Dr. Ayelén F. Crespi Dr. Daniel Vega Dr. Ana L. Pérez Dr. Enrique Rodríguez-Castellón Dr. Juan M. Lázaro-Martínez |
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Affiliation: | 1. Universidad de Buenos Aires, Facultad de Farmacia y Bioquímica, Department of Chemistry & IQUIMEFA-UBA-CONICET, Ciudad Autónoma de Buenos Aires, 1113 Argentina;2. Universidad Nacional de General San Martín, Comisión Nacional de Energía Atómica, Centro Atómico Constituyentes, Department of Condensed Matter Physics, San Martín, 1650 Buenos Aires, Argentina;3. Universidad Nacional del Litoral (CONICET), Facultad de Bioquímica y Ciencias Biológicas, Department of Physics, Santa Fé, 3000 Argentina;4. Universidad de Málaga, Facultad de Ciencias, Department of Inorganic Chemistry, Málaga, 29010 Spain |
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Abstract: | Novel coordination compounds, mono- ( 1 ) and binuclear copper complexes ( 2 ) and a zinc complex ( 3 ) were synthesized and studied through single-crystal X-ray crystallography, solid-state NMR and EPR techniques to determine the chemical functionalization of the carbonyl group in N-methyl-2-imidazolecarboxaldehyde ligand. Particularly, molecules containing carbonyl groups are versatile ligands that give rise to a wide range of new materials due to the high reactivity of the carbonyl group. However, the chemical identification of the functional group present in these coordination compounds is a challenge because the copper ion affects the NMR signals. In this sense, X-ray crystallography becomes an indispensable tool for the analysis. The imidazole ligands in copper complexes 1 and 2 were found to be the aldehyde and the gem-diol forms, respectively. Furthermore, the gem-diol and carboxylate moieties were detected in the crystal lattice for the zinc complex 3 and studied by solution- and solid-state NMR. |
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Keywords: | Coordination compounds Copper Imidazole ligands Structure elucidation Zinc |
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