La Resonancia Magnética Nuclear (RMN) es la técnica ideal para el estudio estructural de materiales sólidos de tipo diamagnético, tanto para conocer la estructura local del sistema como para estudiar la presencia de orden y desorden en el sólido. Sin emba

PAULA NATALIA ZOMERO; CARLOS DANTE BRONDINO; AYELEN FLORENCIA CRESPI; ANA LAURA PEREZ ; JUAN MANUEL LAZARO MARTINEZ; SÁNCHEZ, VERÓNICA M.; DANIEL VEGA

Encuentro; 10th GERMN 9th Ibero-American 7th Iberian NMR meeting; 2021

Copper(II) and cobalt(II) coordination complexes containing N-heterocyclic ligands catalyze the activation of H2O2 and their performance depends on the structure of the catalyst. Since the study of complex organometallic systems in the solid state poses a challenge, we performed a systematic structural and methodological NMR study of complexes containing different substituted pyridines. A combination of EPR, X-ray, high-resolution ss-NMR experiments (1H-MAS, 13C CP-MAS, 2D 1H-13C HETCOR, 2D 1H-1H SQ/DQ and 2D 1H-1H NOESY) and DFT calculation techniques were performed to elucidate the chemical functionalization of pyridinecarboxaldehyde and acetylpyridine ligands for cases in which the crystallographic information was not available.