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

Authors: GÜLŞAH KILIÇKAYA, BAŞAK DOĞAN, NURSEL ACAR, IŞIL TOPALOĞLU SÖZÜER

Abstract: Reaction of the solvent-stabilized dioxo-molybdenum(VI) compound [MoO_2Cl_2(THF)_2] with PPh_3 yielded the oxomolybdenum(IV) species [MoOCl_2(THF)_2] (1) by the removal of one oxygen atom as PPh_3O. The complexes [MoOCl_2(=NC_6H_4CN)] 2, [MoOCl_2(CNC_6H_4OH)] 3, [MoOCl_2(=NC_6H_4NH_2)] 4, and [MoOCl_2(=NC_6H_4OCH_3)] 5, were synthesized by the reactions of [MoOCl_2(THF)_2] with XC_6H_4Y (X = NH_2, Y = CN; X= CN, Y = OH; X = Y = NH_2; X = NH_2, Y = OCH_3). All the new compounds were characterized by elemental analyses, and FTIR, UV-Vis, and ^1H- 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.

Keywords: Mo(VI) complexes; oxo-imido complexes; oxomolybdenum complexes; oxygen atom.

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