Synthesis, characterization and molecular structure of Ru(II) complex with benzoylpyrazine carboxylic acid derivatives

Two benzoylpyrazine ligands containing carboxyl and amide functions and their hydride-carbonyl complexes of ruthenium were synthesized and characterized by infrared, proton, carbon phosphorus nuclear magnetic resonance, electronic absorption and emission spectroscopy and X-ray crystallography. The experimental studies were completed by theoretical calculations. From the electronic spectrum of the complex the Racah’s and nepheloauxetic parameters are calculated. The electronic structure of the complexes, presented in particular by the density of states diagram, have been correlated with its ability to fluoresce and used to analyze the UV–Vis spectra.

Graphical abstractTwo benzoylpyrazine ligands containing carboxyl and amide functions and their hydride-carbonyl complexes of ruthenium were synthesized and characterized by infrared, proton, carbon phosphorus nuclear magnetic resonance, electronic absorption and emission spectroscopy and X-ray crystallography. The experimental studies were completed by theoretical calculations. From the electronic spectrum of the complex the Racah’s and nepheloauxetic parameters are calculated. The electronic structure of the complexes, presented in particular by the density of states diagram, have been correlated with its ability to fluoresce and used to analyze the UV–Vis spectra.Figure optionsDownload full-size imageDownload as PowerPoint slide