Experimental and theoretical analysis of 2-amino 1-methylbenzimidazole molecule based on DFT
Yazarlar (3)
Prof. Dr. Emine BABUR ŞAŞ
Kırşehir Ahi Evran Üniversitesi, Türkiye
Kırşehir Ahi Evran Üniversitesi, Türkiye
Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2017 |
| Cilt / Sayı / Sayfa | 1149 / 1 / 882–892 | DOI | 10.1016/j.molstruc.2017.07.055 |
| 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 |
Science Direct
Experimental and theoretical analysis of 2-amino 1-methylbenzimidazole molecule based on DFT
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 17 |
| SCOPUS | 17 |
| Google Scholar | 18 |