IFEG   20353
INSTITUTO DE FISICA ENRIQUE GAVIOLA
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
NMR studies of synthetic imidazoles, polymeric materials and their metal complexes
Autor/es:
JUAN MANUEL LÁZARO MARTÍNEZ; VIVIANA CAMPO DALL´ORTO; GRACIELA YOLANDA BULDAIN; GUSTAVO ALBERTO MONTI; ANA KARINA CHATTAH
Lugar:
Alta Gracia, Córdoba
Reunión:
Encuentro; Magnetic Resonance in a Cordubensis Perspective: New Developments in NMR; 2011
Institución organizadora:
Instituto de Física Enrique Gaviola-FaMAF
Resumen:
Synthethic Imidazoles: The few stable crystalline hydrates known are those that have a strongly electronegative group associated with the carbonyl group since, in general, the hydrates can seldom be isolated because they readily revert to the parent aldehyde. So, we focused the study on the imidazole-2-carboxaldehyde (1) because it is an important reagent in the synthesis of active compounds. In this field, imidazole derivatives have been synthesized from 1 with relevance in medicinal chemistry. Our results allowed us to conclude that the hydrate form (1a) was stable and precipitated at pH = 8.0, and that the aldehyde form was isolated at pH = 6.5 and 9.5 (Fig. 1). Moreover, the presence of the aldehyde-hydrate form was studied through NMR experiments in D2O at both alkaline and acidic pH.1 In addition; the tautomeric forms of the 2-substituted imidazole compounds were also analyzed through NMR and X-Ray crystallographic techniques due to its importance in the reactivity of compounds in chemical processes and its effect on biological systems. Polymeric Materials: Two particular interesting groups of functionalized polymeric materials are the polyampholytes and polyelectrolytes.2 These materials offer the versatility to complex different metal ions due to the presence of azole and/or carboxylate groups in the structure. In particular, in the Cu(II)-Polymer complexes containing imidazole, the heterocyclic ring has been found to be the main group involved in metal ion uptake and the carboxylic group appears to have a coordinating role only at high concentrations of the metal ion from the 13C CP-MAS spectra.2 The aim of the present work was to determine the effects of copper ion at different concentrations in the molecular dynamics and to study the coordination behavior in synthetic polymers bearing imidazole, triazole or pyrazole and carboxylic acid by 1D- and 2D-solid-state NMR experiments.