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Strongly fluorescing silver(I) complex of a new thiadiazole ligand: X-ray crystallography, close anagostic interactions and TD-DFT emissive states      
Yazarlar
Serkan Demir
Giresun Üniversitesi, Türkiye
Prof. Dr. Mahmut GÜR Prof. Dr. Mahmut GÜR
Kastamonu Üniversitesi, Türkiye
Prof. Dr. Nesrin ŞENER Prof. Dr. Nesrin ŞENER
Kastamonu Üniversitesi, Türkiye
Prof. Dr. İzzet ŞENER Prof. Dr. İzzet ŞENER
Kastamonu Üniversitesi, Türkiye
Gökhan Alpaslan
Giresun Üniversitesi, Türkiye
Özet
A new thiadiazole ligand, N-ethyl-5- (benzo[b]thien-2-yl-)-1,3,4-thiadiazol-2-amine (BTH), was prepared from 3-methyl-1-benzofuran-2-carboxylic acid and N-ethylhydrazinecarbothioamide precursors. Corresponding silver(I) complex, tetrakis(N-ethyl-5-(benzo[b]thien-2-yl-)-1,3,4-thiadiazol-2-amine)silver(I) nitrate [Ag2(BTH)4](NO3)2 (1), was prepared. The structures of BTH and 1 were characterized by 1H-NMR, 13C-NMR, FT-IR, elemental analysis and HR-MS techniques. Furthermore, molecular structure of 1 was illuminated by X-ray crystallography. Owing to strong anagsotic interaction, crystal structure of the complex revealed an intriguing asymmetric monomer unit even with two same ligands in 2:1 metal-to-ligand stoichiometry. Photoluminescence properties of the complex were investigated by solid and solution media emission measurements. Excited and emissive state behavior of the complex was further analyzed by quantum chemical TD-DFT calculations and natural transition orbital (NTO) analyses.
Anahtar Kelimeler
1,3,4-Thiadiazole ligands | anagostic interaction | excited state calculations | photophysical properties | silver(I) complex
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Journal of Coordination Chemistry
Dergi ISSN 0095-8972
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q3
Makale Dili İngilizce
Basım Tarihi 09-2019
Cilt No 72
Sayı 18
Sayfalar 3071 / 3087
Doi Numarası 10.1080/00958972.2019.1685089
Makale Linki https://www.tandfonline.com/doi/full/10.1080/00958972.2019.1685089