2-metil-1h-benzimidazol-5-karboksilik asit molekülünün yapısal ve titreşimsel spektrumlarının teorik ve deneysel olarak incelenmesi
Yazarlar (1)
Prof. Dr. Emine TANIŞ Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(Ulusal alan endekslerinde (TR Dizin, ULAKBİM) yayınlanan tam makale)
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| Dergi Adı | Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi | ||
| Dergi ISSN | 2147-835X Scopus Dergi | ||
| Dergi Tarandığı Indeksler | TR DİZİN | ||
| Makale Dili | Türkçe | Basım Tarihi | 03-2017 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-12-2017 |
| Cilt / Sayı / Sayfa | 21 / 3 / 545–563 | DOI | 10.16984/saufenbilder.270275 |
| Makale Linki | https://doi.org/10.16984/saufenbilder.270275 | ||
| UAK Araştırma Alanları |
Optoelektronik
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| Özet |
| In this study, 2-methyl -1h-benzimidazole 5 carboxylic acid (2M1HB5C) molecule was investigated by using experimental (FT-IR, Dispersive Raman, 1 H and 13 C NMR spectra ) techniques and theoretical (DFT approach ) calculations. Experimental results such as vibrational (FT-IR and Dispersive-Raman) spectra were supported by the theoritical results obtained from DFT (B3LYP) method and cc-pVDZ basis set calculations. Electronic characteristics , such as excitation energies, oscillator strengths, wavelengths, HOMO and LUMO energies were investigated for 2M1HB5C molecule. Furthermore, molecular electrostatic potential, natural bond orbital analysis and thermodynamic features were calculated. As a conclusion, the calculated results were compared with the experimental spectra of the 2M1HB5C molecule, which were in a good agreement with observed ones. |
| Anahtar Kelimeler |
BM Sürdürülebilir Kalkınma Amaçları
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| Google Scholar | 2 |
| Google Scholar | 2 |