One-pot Solvent-free Catalytic Dimerization Reaction of Phenylacetylene to 1-Phenylnaphthalene

Journal of Chemical Sciences

Avat (Arman) Taherpour1 2²  Ako Yari²  Sepehr Taban¹ 

[1] Chemistry Department, Science Faculty, Islamic Azad University, Arak Branch, P.O. Box 38135-567, Arak, Iran$$;Department of Organic Chemistry, Faculty of Chemistry, Razi University, P.O. Box: 67149-67346, Kermanshah, Iran$$

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

DOI  :  

来源: Indian Academy of Sciences

【 摘 要 】

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.

【 授权许可】

Unknown