Novel imino rhenium(I) tricarbonyl complexes of salicylidene-derived ligands: Synthesis, X-ray crystallographic studies, spectroscopic characterization and DFT calculations

Novel rhenium(I) tricarbonyl complexes of the form fac-[Re(L,L′-Bid)(CO)3(S)] (L,L′10.1016/j.poly.2012.08.059-Bid = N,O-Sal-type bidentate ligand, S = coordinating methanol or pyridine) were obtained by the reaction of the fac-[Re(CO)3]+ moiety with a range of 2-(“T”-iminomethyl)-5-methylphenol Schiff-base ligands. Various biological functional groups (“T”) with different electronic and steric properties were introduced at the imino nitrogen atom. The complexes were characterized spectroscopically by IR, 1H and 13C NMR. Three solid state structures were elucidated by X-ray diffraction and compared to DFT calculations employing B3LYP functions in combination with LANL2DZ.

A range of novel rhenium(I) tricarbonyl complexes are presented, confirming the coordination of different biomolecule functionalized Schiff-base salicylidene ligands. The compounds were characterized by IR, UV–Vis and NMR spectroscopy. The solid state structures, determined by X-ray diffraction, were compared to the corresponding DFT optimized structures.Figure optionsDownload as PowerPoint slide