Alkyl 2-benzothiazolyl sulfide ligated dirhenium complexes: Syntheses, structure and computational study of [Re2(CO)8{μ,κ1,κ1-(R)SCNC6H4S}] (R = CH3 and C2H5)

The synthesis of dirhenium complexes of 2-(methylthio)benzothiazole (mbztMe) and 2-(ethylthio)benzothiazole (mbztEt) and their X-ray crystal structures are reported. The complexes, [Re-2(CO)(8){mu,kappa(1),kappa(1)-(CH3)SCNC6H4S}] (1) and [Re-2(CO)(8){mu,kappa(1),kappa(1)-(C2H5)SCNC6H4S}] (2), were isolated as orange crystals from the easy displacement of acetonitrile from the labile complex, [Re-2(CO)(8)(MeCN)(2)] in moderate yields. The complexes were characterized by elemental analyses and spectroscopic methods, and their structures were determined by single crystal X-ray diffraction method. The optimized bond lengths and bond angles of the complexes using the DFT method were in good agreement with experimental X-ray crystallographic data.