cis-Dioxido-molybdenum(VI) complexes of tridentate ONO hydrazone Schiff base: Synthesis, characterization, X-ray crystal structure, DFT calculation and catalytic activity

• Two new Mo(VI) complexes have been synthesized and characterized.
• Crystal structure of both Mo(VI) complexes have been determined by single crystal X-ray diffraction.
• The electronic nature of the compounds have been investigated via DFT calculations.
• The catalytic activity of Mo(VI) complexes was investigated in the synthesis of bis(indolyl) methane derivatives.

Two new cis-MoO2 [MoO2(L)(EtOH)] (1), [MoO2(L)(Py)] (2) [L: (3-methoxy-2oxidobenzylidene)benzohydrazidato], complexes have been synthesized and fully characterized on the basis of elemental analysis, FT-IR, molar conductivity, 1H NMR, 13C NMR and electronic spectra. The structure of complexes has been accomplished by single crystal X-ray diffraction. All experimental results confirmed that both complexes have an octahedral geometry around the Mo(VI) central atom, which is coordinated by the donor atoms of the dianionic hydrazone ligand, two oxido groups and oxygen/nitrogen atoms of solvent molecules. Computational studies were also performed using DFT calculations at B3LYP/DGDZVP level of theory. Furthermore, their catalytic activities were investigated on the electrophilic reaction of indole with aldehydes in molten tetrabutyl ammonium bromide (TBAB) to obtain bis(indolyl)methane derivatives.

Two cis-MoO2 Schiff base complexes were synthesized and fully characterized by various methods including single crystal X-ray diffraction. The catalytic activity of these complexes was also investigated for the synthesis of bis(indolyl) methane derivatives.Figure optionsDownload as PowerPoint slide