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-fRe(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, H-1 and C-13 NMR. Three solid state structures were elucidated by X-ray diffraction and compared to DFT calculations employing B3LYP functions in combination with LANL2DZ. (C) 2012 Elsevier Ltd. All rights reserved.