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Experimental and theoretical analysis of 2-amino 1-methyl benzimidazole molecule based on DFT

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Abstract In this work were shown spectroscopic properties, molecular structure and electronic properties of 2-amino 1 methyl benzimidazole molecule. The theoretical calculations in the title molecule were performed with density… Click to show full abstract

Abstract In this work were shown spectroscopic properties, molecular structure and electronic properties of 2-amino 1 methyl benzimidazole molecule. The theoretical calculations in the title molecule were performed with density functional theory method. Experimental wavenumber of 2-amino 1 methyl benzimidazole molecule were recorded with FT-Raman, dispersive Raman and FT-IR between 4000 and 0, 4000–400 and 4000-370 cm−1, respectively. The scaled theoretical wavenumber are assigned based on total energy distribution. Other experimental spectra were recorded in specific solvents.

Keywords: benzimidazole molecule; molecule; methyl benzimidazole; amino methyl

Journal Title: Journal of Molecular Structure
Year Published: 2017

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