Reactions of the solvent-stabilized compound [MoOCl_2(THF)_2] with aromatic nitrogen donor ligands: spectroscopic characterization and semiempirical AM1* calculations

Reaction of the solvent-stabilized dioxo-molybdenum(VI) compound [MoO2 Cl2 (THF)2]withP Ph3 yielded the oxomolybdenum(IV) species [MoOCl2 (THF)2](1) by the removal of one oxygen atom as PPh3 O. The complexes [MoOCl2 (=NC6 H4 CN)] 2,[MoOCl2 (CNC6 H4 OH)] 3,[MoOCl2 (=NC6 H4 NH2)] 4,and [MoOCl2 (=NC6 H4 OCH3)] 5, were synthesized by the reactions of [MoOCl2 (THF)2]with XC6 H4 Y(X =NH2, Y = CN; X= CN, Y = OH; X = Y = NH2;X=NH2,Y=OCH3). All the new compounds were characterized by elemental analyses, and FTIR, UV-Vis, and 1 H and 13 C-NMR spectra. Geometrical parameters and molecular orbital calculations showed that compounds 2-5 are stabilized by a charge transfer between the Mo center and the phenyl ring.TÜBİTAK (TBAG/2469) and İzmir Institute of Technology (2006 İYTE 15