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Synthesis, characterization, quantum chemical calculations and antioxidant activity of new bis-isatin carbohydrazone and thiocarbohydrazone derivatives     
Yazarlar
Doç. Dr. Halit MUĞLU
Kastamonu Üniversitesi, Türkiye
Doç. Dr. Muhammet Serdar ÇAVUŞ
Kastamonu Üniversitesi, Türkiye
Doç. Dr. Temel Kan BAKIR
Kastamonu Üniversitesi, Türkiye
Hasan Yakan
Ondokuz Mayıs Üniversitesi, Türkiye
Özet
1,5-Bis(5-chloro-2-oxoindolin-3-ylidene)thiocarbohydrazone (3), 1,5-Bis(5-metoxy-2-oxoindolin-3-ylidene)thiocarbohydrazone (4), 1,5-Bis(5-metoxy-2-oxoindolin-3-ylidene)carbohydrazone (5) were obtained from isatins and thio/carbohydrazides under reflux in absolute ethanol. The structures of these synthesized compounds were determined using FT-IR, 1H NMR, 13C NMR spectroscopy, and elemental analysis. Quantum chemical calculations were also performed at B3LYP/6-311++G(2d,2p) level in order to obtain information about the molecular geometries and electronic data, such as HOMO-LUMO energy eigenvalues and density of states (DOSs). In addition, structural and antioxidant properties of the compounds were studied theoretically. QTAIM analysis was performed to investigate the relationship between intramolecular interactions, electronic data and antioxidant activity. The in vitro antioxidant activity of all the compounds was determined by 1,1-diphenyl-2-picrylhydrazyl (DPPH) free radical scavenging method. Antioxidant activity was followed by Ascorbic acid > 3 > 4 > 5.
Anahtar Kelimeler
Isatin,Carbohydrazide,Antioxidant activity,DFT,QTAIM,Spectroscopic techniques
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 11-2019
Cilt No 1196
Sayfalar 819 / 827
Doi Numarası 10.1016/j.molstruc.2019.07.002
Makale Linki https://linkinghub.elsevier.com/retrieve/pii/S0022286019308361