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      https://www.ias.ac.in/article/fulltext/jcsc/133/0084

    • Keywords

       

      Cordierite monolith; Ti0.95Cu0.05O1.95; Ipso – hydroxylation; Nitro reduction; Density functional theory.

    • Abstract

       

      A stable, active and selective Ti0.95Cu0.05O1.95 catalyst, crystallized in anatase TiO2 structurewith 5% Cu2+ ions substituted for Ti4+ ions with 5% oxide ion vacancy has been synthesized by solutioncombustion method. The catalyst was coated over a cordierite monolith (Mg2Al4Si5O18) by solution combustionmethod. By the first principle density functional theory (DFT) calculations, 48 atoms bulk structurehas been optimized and density of states (DOS) has been calculated. Ti – O bond distribution in Ti0.95Cu0.05O1.95 has been compared with pure TiO2. Bond distribution analysis has shown longer Cu – O and Ti –O bonds compared to those in CuO and TiO2 creating Cu2+ and oxide ion vacancy as electrophilic andnucleophilic active sites, respectively. This catalyst was found to be very active for ipso – hydroxylation ofarylboronic acid and 4-nitrophenol reduction reactions at room temperature. Catalyst coated cordieritemonolith was used in the recycling process of the reaction for 20 cycles and cumulative turnover frequencywas found to be 184,840 h-1. Ti0.95Cu0.05O1.95 catalyst coated on cordierite monolith enhanced the rate of thereaction compared to powder catalyst and made the handling and recycling of the catalyst very easy.

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    • Author Affiliations

       

      SHRIKANTH K BHAT1 2 PRASANNA 1 JAGADEESH PRASAD DASAPPA2 HEGDE M S1

      1. Talent Development Centre, Indian Institute of Science Challakere Campus, Chitradurga 577536, India
      2. Department of Chemistry, Mangalore University, Mangalagangotri, Konaje, Mangalore 574199, India
    • Dates

       
  • Journal of Chemical Sciences | News

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