Synthesis, characterization, quantum chemical calculations andantioxidant activity of new bis-isatin carbohydrazone andthiocarbohydrazone derivatives
Yazarlar (4)
Prof. Dr. Halit MUĞLU Kastamonu Üniversitesi, Türkiye
Prof. Dr. Muhammet Serdar ÇAVUŞ Kastamonu Üniversitesi, Türkiye
Prof. Dr. Temel Kan BAKIR Kastamonu Üniversitesi, Türkiye
Doç. Dr. Hasan Yakan Ondokuz Mayıs Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2019 |
| Cilt / Sayı / Sayfa | 1196 / 1 / 819–827 | DOI | 10.1016/j.molstruc.2019.07.002 |
| 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 |
| Antioxidant activity | Carbohydrazide | DFT | Isatin | QTAIM | Spectroscopic techniques |
Science Direct
Synthesis, characterization, quantum chemical calculations andantioxidant activity of new bis-isatin carbohydrazone andthiocarbohydrazone derivatives
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Scopus | 42 |