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

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. (C) 2017 Elsevier B.V. All rights reserved.