img
img
Comparison of Absorption-Emission Properties of New Azo Dyes And New Schiff Bases From Benzimidazole Derivative 1,3,4-Thiadiazole and Theoretical Calculation by DFT Method     
Yazarlar (6)
Prof. Dr. Nesrin ŞENER Prof. Dr. Nesrin ŞENER
Kastamonu Üniversitesi, Türkiye
Sevil Özkınalı
Hitit Üniversitesi, Türkiye
Prof. Dr. Mahmut GÜR Prof. Dr. Mahmut GÜR
Kastamonu Üniversitesi, Türkiye
Öğr. Gör. Dr. Merve ZURNACI Öğr. Gör. Dr. Merve ZURNACI
Kastamonu Üniversitesi, Türkiye
Prof. Dr. İzzet ŞENER Prof. Dr. İzzet ŞENER
Kastamonu Üniversitesi, Türkiye
Prof. Dr. Muhammet Serdar ÇAVUŞ Prof. Dr. Muhammet Serdar ÇAVUŞ
Kastamonu Üniversitesi, Türkiye
Devamını Göster
Özet
After the synthesis of the new benzimidazole derivative 1,3,4-thiadiazole compound, a series of azo dyes from the reaction of this compound with various coupling components and a series of schiff bases were synthesized from the reaction with various aldehydes. The structures of the obtained compounds are characterized and interpreted with UV, FT-IR and 1H-NMR. The fluorescence properties of the compounds were also investigated, and the absorption and emission properties of schiff base and azo dyes obtained from the same derivative were examined. As a result, it was observed that schiff bases obtained from benzimidazole derivative 1,3,4-thiadiazole compound had longer wavelength absorption-emission compared to azo dyes obtained from the same compound. Experimental data were supported by density functional theory (DFT) calculations. The ground state geometries, spectroscopic properties, FMO energies and related chemical reactivity parameters of the compounds were calculated using the B3LYP hybrid density functional combined with 6-311++G(2d,2p) basis set. At the same theory level, QTAIM and IRI analyzes were also performed and the data were used to determine the properties of tautomeric structures. The electronic properties of the compounds were studied and a detailed analysis was performed by comparing them with experimental data.
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü Diğer hakemli ulusal dergilerde yayınlanan tam makale
Dergi Adı Kastamonu University
Dergi ISSN 2667-8209
Dergi Tarandığı Indeksler
Makale Dili İngilizce
Basım Tarihi 06-2023
Sayfalar 33 / 45
Doi Numarası 10.55385/kastamonujes.1301461
Makale Linki http://dx.doi.org/10.55385/kastamonujes.1301461