Effect of Ligands within Vanadium Complex Encapsulated in Y Zeolite Catalysts on Liquid-phase Benzene Oxidation

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  • TANI Shotaro
    Dept. of Chemical Science and Engineering, Graduate School of Engineering, Kobe University
  • ICHIHASHI Yuichi
    Dept. of Chemical Science and Engineering, Graduate School of Engineering, Kobe University Research Center for Membrane and Film Technology, Graduate School of Engineering, Kobe University

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  • ベンゼンの液相酸化反応に用いるV錯体内包触媒における配位子効果

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<p>Vanadium-loaded catalysts used in direct liquid-phase oxidation of benzene have low reusability attributable to the elution of V species into the reaction solution. Herein, V complexes were encapsulated in Y zeolite to prevent the elution of V species in the catal+yst used for phenol formation during the direct oxidation of benzene in the liquid phase. V complex catalysts encapsulated in Y zeolite were prepared by mixing Y zeolite loaded with V species using solutions containing different ligands. Using acetic acid as the solvent improved the reusability of the encapsulated V complex catalyst. The catalytic activity of the V complex catalyst for phenol formation was influenced by the ligand effect. Density functional theory (DFT) calculations indicated that the type of ligand also affected the energy gap between V3+ and V4+, which is directly related to phenol formation in the present reaction. DFT calculations were further used to identify the mechanism for the liquid-phase oxidation of benzene.</p>

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