期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1149, 期 -, 页码 882-892出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molstruc.2017.07.055
关键词
2-Amino 1-methyl benzimidazole; Density functional theory; FT-Raman; FT-IR; Dispersive Raman
资金
- Ahi Evran University Scientific Project Unit (BAP) [PYO-FEN.4003-12.009]
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.
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