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Noei-Hootkani, Hashem; Karrari, Solmaz; Hosseini-Monfared, Hassan; Mayer, Peter; Notash, Behrouz (2017): Synthesis, structural characterization, DFT studies and catalytic properties of dinuclear oxidovanadium(V) complexes derived from adipohydrazone ligands. In: Journal of Molecular Structure, Vol. 1143: pp. 452-461
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Two new dinuclear oxidovanadium(V) complexes, [V2O2(L-1)(OCH3)(2)(CH3OH)(2)]center dot 2(CH3OH) (1) and [V2O2(L-2)(OCH3)(2)(CH3OH)(2)]center dot 2(CH3OH)(2), were synthesized from the reaction of VO(acac)(2) and hexadentate N2O4-donor hydrazone ligands (H4L1 and H4L2) in methanol solvent. The ligands and complexes were characterized by elemental analysis and spectroscopic methods. Single crystal X-ray analysis of the brown crystals of complexes 1 and 2 indicated that these complexes are dinuclear oxidovanadium(V) complexes which the metal ions have distorted octahedral geometry. There are several strong and directed hydrogen bonding interactions in the crystal packing of 1 and 2 which stabilize their crystalline format. The catalytic activity of these complexes was tested in the oxidation of thioanisole using H2O2. These studies indicated both complexes have high catalytic activity in the oxidation of thioanisole. The complexes were further studied by DFF and TDDFF theoretical calculations.