An article Novel oxovanadium and dioxomolybdenum complexes of tridentate ONO-donor Schiff base ligand: Synthesis, characterization, crystal structures, Hirshfeld surface analysis, DFT computational studies and catalytic activity for the selective oxidation of benzylic alcohols WOS:000652819900001 published article about AEROBIC OXIDATION; CIS-DIOXOMOLYBDENUM(VI) COMPLEXES; MOLYBDENUM(VI) COMPLEX; HYDROGEN-PEROXIDE; MOLECULAR-OXYGEN; SC-XRD; EPOXIDATION; METAL; EFFICIENT; BENZALDEHYDE in [Kargar, Hadi] Ardakan Univ, Dept Chem Engn, Fac Engn, POB 184, Ardakan, Iran; [Forootan, Pooran; Fallah-Mehrjardi, Mehdi; Behjatmanesh-Ardakani, Reza] Payame Noor Univ, Dept Chem, Tehran 193953697, Iran; [Rudbari, Hadi Amiri] Univ Isfahan, Dept Chem, Esfahan 8174673441, Iran; [Munawar, Khurram Shahzad] Univ Sargodha, Dept Chem, Punjab, Pakistan; [Munawar, Khurram Shahzad] Univ Mianwali, Dept Chem, Mianwali, Pakistan; [Ashfaq, Muhammad; Tahir, Muhammad Nawaz] Univ Sargodha, Dept Phys, Punjab, Pakistan in 2021, Cited 98. Recommanded Product: 105-13-5. The Name is (4-Methoxyphenyl)methanol. Through research, I have a further understanding and discovery of 105-13-5
Two new oxovanadium and dioxomolybdenum Schiff base complexes, [VvO(L)(OCH3)(CH3OH)] and [MoVIO2(L) (CH2CH3OH)], were synthesized by treating an ONO-donor type Schiff base ligand (H2L) derived by condensation of 5-nitrosalicylaldehyde and nicotinic hydrazide with oxo and dioxo acetylacetonate salts of vanadium and molybdenum, [VO(acac)2 and MoO2(acac)2], respectively. The synthesized ligand and complexes were characterized by various spectroscopic techniques like FT-IR, multinuclear (1H, 13C) NMR, elemental analysis and the most authentic single crystal X-ray diffraction analysis. In both complexes the geometry around the central metal ions was distorted octahedral as revealed by the data collected from diffraction studies. Theoretical calculation of the synthesized compounds were carried out by DFT as well as TD-DFT using B3LYP method by employing the Def2-TZVP basis set. The findings of theoretical data indicated that the calculated results are in accordance with the experimental findings. Moreover, the catalytic efficiencies of both complexes were investigated by oxidizing the benzylic alcohols in the presence of urea hydrogen peroxide (UHP) in acetonitrile.
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