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

Abstract

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.