S. Mohan, P. Navamani, K. Jayamoorthy
Aug 26, 2017
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Journal
Silicon
Abstract
A series of novel imidazole derivatives has been designed and synthesized using nano-SiO2 as an efficient catalyst. Synthesized compounds have been characterized by 1H and 13C-NMR spectral studies. The significant features of this nanocatalyst are high product yield, short reaction times and a vast range of substrates usage. Proton and 13C chemical shifts of the synthesized compounds were calculated. The absorption and emission properties of imidazole derivatives were studied in several solvents. Polar solvents favor the stabilization of excitation of the imidazole derivative. Decrease in the total dipole moment of the solvent molecules (non-polar solvents) results in the change of the molecular charge distributions of the imidazole derivatives. Optimization of 4,5-dimethyl-2-phenyl-1-m-tolyl-1H-imidazole (1) was performed by DFT at B3LYP/6-31G (d, p) using Gaussian-03.