Synthesis and DFT supported spectroscopic characterization of a pyrazolone Schiff base complex of RuII-NO core

Abstract

Due to the fact of fascinating properties of 4-aminoantipyrene and other pyrazolone derivatives, this work is mainly focused on the synthesis of Schiff base complex of Ru-NO core containing pyrazolone as the main ligand functionality. Several spectroscopic and spectrometric techniques in association with theoretical approach (DFT) have been applied to elucidate the structure of the complex. In addition to the characterization, parameters that decide to label the given compound as a significant nitric oxide releasing molecule (NORM) have been discussed. DFT based computational studies using LANL2DZ/B3LYP and 6-31 G(d,p)/B3LYP formalism, respectively for Ru and nonmetallic atoms of the complex have been used to deal with the NO-releasing phenomenon. From the results discussed herein it is evident that the complex can release NO at the cost of low energy radiation.