A combined experimental and computational study of electrochemical and photophysical properties of new benzophenone derivatives functionalized with N-substituted-phenyl-1,3,4-thiadiazole-2-amine
Yazarlar (5)
Prof. Dr. İzzet ŞENER Kastamonu Üniversitesi, Türkiye
Prof. Dr. Çiğdem Şahin Pamukkale Üniversitesi, Türkiye
Prof. Dr. Serkan Demir Giresun Üniversitesi, Türkiye
Prof. Dr. Nesrin ŞENER Kastamonu Üniversitesi, Türkiye
Prof. Dr. Mahmut GÜR Kastamonu 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
Makale Dili İngilizce Basım Tarihi 03-2020
Cilt / Sayı / Sayfa 1203 / 1 / 127475–0 DOI 10.1016/j.molstruc.2019.127475
Makale Linki https://linkinghub.elsevier.com/retrieve/pii/S0022286019315844
UAK Araştırma Alanları
Organik Kimya
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 …
Anahtar Kelimeler
Benzophenone | DFT calculation | Photoluminescence | Thiadiazole