| Yazarlar |
Prof. Dr. İzzet ŞENER
Kastamonu Üniversitesi, Türkiye |
Çiğdem Şahin
Pamukkale Üniversitesi, Türkiye |
|
Serkan Demir
Giresun Üniversitesi, Türkiye |
Prof. Dr. Nesrin ŞENER
Kastamonu Üniversitesi, Türkiye |
|
Prof. Dr. Mahmut GÜR
Kastamonu Üniversitesi, Türkiye |
| Özet |
| New benzophenone derivatives with N-substituted-1,3,4-thiadiazole including different substituents were synthesized and characterized by using FTIR, NMR, UV/Visible, and fluorescence spectroscopies and cyclic voltammetry. The effect of –F, -Cl, –OCH3 and –NO2 substitutions at ortho-, meta-, para-positions on the photoluminescence properties of the molecules have been investigated. The results indicate that the electron-donating and electron-withdrawing moieties at the ortho-, meta-, and para-positions have an important effect on the photoluminescence properties of the molecules. The calculated the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energy levels are in the range of (−5.55) to (−5.65) eV and (−2.83) to (−3.02), respectively. The lower LUMO energy levels were observed for the molecules with –OCH3 substituents due to the donor strength of the substituent. Excited states and electrochemical properties of the molecules were also comprehensively and quantitatively studied by Density Functional Theory and Time-Dependent Density Functional Theory calculations. Experimental trends were successfully revealed by calculated data. |
| Anahtar Kelimeler |
| Benzophenone | DFT calculation | Photoluminescence | Thiadiazole |
| 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 |
| Makale Dili | İngilizce |
| Basım Tarihi | 03-2020 |
| Cilt No | 1203 |
| Sayı | 1 |
| Sayfalar | 127475 / 0 |
| Doi Numarası | 10.1016/j.molstruc.2019.127475 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286019315844 |
| Atıf Sayıları | |
| WoS | 6 |
| SCOPUS | 6 |
| Google Scholar | 8 |
