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Experimental and theoretical analysis of 2-amino 1-methylbenzimidazole molecule based on DFT     
Yazarlar
Doç. Dr. Emine BABUR ŞAŞ Doç. Dr. Emine BABUR ŞAŞ
Ahi Evran Üniversitesi, Türkiye
Mustafa Çevik
Prof. Dr. Mustafa KURT Prof. Dr. Mustafa KURT
Ahi Evran Üniversitesi, Türkiye
Özet
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.
Anahtar Kelimeler
2-Amino 1-methyl benzimidazole | Density functional theory | FT-Raman | FT-IR | Dispersive Raman
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı JOURNAL OF MOLECULAR STRUCTURE
Dergi ISSN 0022-2860
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 12-2017
Cilt No 1149
Sayfalar 882 / 892
Doi Numarası 10.1016/j.molstruc.2017.07.055