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In situ preparation and characterization of novel CuI‐functionalized poly[(methyl methacrylate)‐ co ‐maleimide] as an efficient heterogeneous catalyst in the regioselective synthesis of 1,2,3‐triazoles via click reaction: Experimental and computational chemistry
Author(s) -
Pourmohammad Nargess,
Heravi Majid M.,
Ahmadi Shervin,
Hosseinnejad Tayebeh
Publication year - 2019
Publication title -
applied organometallic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.53
H-Index - 71
eISSN - 1099-0739
pISSN - 0268-2605
DOI - 10.1002/aoc.4967
Subject(s) - maleimide , chemistry , regioselectivity , maleic anhydride , methyl methacrylate , polymer chemistry , catalysis , polymerization , nanoparticle , poly(methyl methacrylate) , click chemistry , surface modification , copolymer , polymer , organic chemistry , materials science , nanotechnology
A CuI‐functionalized poly[(methyl methacrylate)‐ co ‐maleimide] (CuI@[PMMA‐co‐MI]) nanocatalyst was prepared from in situ polymerization and functionalization of poly[(methyl methacrylate)‐ co ‐(maleic anhydride)] and well characterized using various techniques. From a computational viewpoint, we assessed two complexation models between copper nanoparticles and [PMMA‐co‐MI]. In this line, the metal–ligand interaction strength was also studied via density functional theory calculations and frontier molecular orbital analysis. Moreover, for presenting a quantitative description of the electronic features of immobilization of copper nanoparticles on polymeric support, the topological analysis of electron density and its Laplacian was performed through quantum theory of atoms in molecules. Finally, the catalytic activity of CuI@[PMMA‐co‐MI] as a heterogeneous nanocatalyst was successfully examined in the highly regioselective synthesis of 1,4‐disubstituted 1,2,3‐triazoles via click reaction.