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    • Keywords


      Catalytic reactions; Phenylacetylene; 1-Phenylnaphthalene; Copper(0)-Carbone catalyst; Solvent free synthesis; EDS; SEM; Molecular modelling.

    • Abstract


      In this study, we report a smooth one-pot, solvent-free catalytic dimerization of phenylacetylene (1) to 1-phenylnaphthalene (2) by Cu/C at room temperature in good yield (∼100%). In the computational study, the structure of the 1-phenylnaphthalene was optimized by DFT-B3LYP/6-31G* method. The rotation barrier around C-C of the phenyl and naphthalene parts of the molecule and its UV-Visible spectrum were calculated. The modelling of the mechanism of production of 2 from 1 was performed with and without Cu/C catalyst. The data of EDS and SEM of the Cu/C catalyst surface are also reported.

    • Author Affiliations


      Avat (Arman) Taherpour1 2 Sepehr Taban3 Ako Yari1

      1. Department of Organic Chemistry, Faculty of Chemistry, Razi University, P.O. Box: 67149-67346, Kermanshah, Iran
      2. Medical Biology Research Center, Kermanshah University of Medical Sciences, Kermanshah, Iran
      3. Chemistry Department, Science Faculty, Islamic Azad University, Arak Branch, P.O. Box 38135-567, Arak, Iran
    • Dates

  • Journal of Chemical Sciences | News

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