Synthesis, spectra (FT-IR, NMR) investigations, DFT, FMO, MEP, NBO analysis and catalytic activity of MoO2(VI) complex with ONO tridentate hydrazone Schiff base ligand

被引:53
作者
Kargar, Hadi [1 ]
Fallah-Mehrjardi, Mehdi [2 ]
Behjatmanesh-Ardakani, Reza [2 ]
Munawar, Khurram Shahzad [3 ,4 ]
机构
[1] Ardakan Univ, Fac Engn, Dept Chem Engn, POB 184, Ardakan, Iran
[2] Payame Noor Univ, Dept Chem, Tehran 193953697, Iran
[3] Univ Sargodha, Dept Chem, Punjab, Pakistan
[4] Univ Mianwali, Dept Chem, Mianwali, Pakistan
关键词
Dioxomolybdenum(VI); Schiff base; DFT study; NBO analysis; catalytic activity; RAY CRYSTAL-STRUCTURE; DIOXOMOLYBDENUM(VI) COMPLEXES; OXIDATIVE DESULFURIZATION; SELECTIVE OXIDATION; EFFICIENT OXIDATION; HYDROGEN-PEROXIDE; METAL-COMPLEXES; SULFIDES; EPOXIDATION; SULFONES;
D O I
10.1016/j.molstruc.2021.131259
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A new dioxomolybdenum(VI) complex has been successfully prepared by the reaction of an ONO donor Schiff base, derived by condensing 4-amino-2-hydroxybenzohydrazide and 3-ethoxysalicylaldehyde, with MoO2(acac)(2). The structures of synthesized products were explored spectroscopically through FT-IR, H-1 & C-13 NMR and by elemental composition (CHN) through combustion analysis. The tridentate Schiff base ligand is bonded to the central metal through its deprotonated enolic and phenolic oxygen atoms and by the nitrogen of the azomethine group. The interpretation of the data obtained through diffraction analysis validates the distorted octahedral geometry for the prepared metal complex. Furthermore, the catalytic potential of the molybdenum complex was explored for the selective oxidation of the aryl and alkyl sulfides to the corresponding sulfones in the presence of 30% aqueous H2O2 in ethanol. The main edge of the present catalytic work is the accomplishment of reaction in a short period of time, high percentage yield and easy work-up procedure. (C) 2021 Elsevier B.V. All rights reserved.
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页数:11
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