Synthesis, structure characterization and quantum chemical study on relationship between structure and antioxidant properties of novel Schiff bases bearing (thio)/carbohydrazones
Yazarlar (5)
Prof. Dr. Halit MUĞLU Kastamonu Üniversitesi, Türkiye
Doç. Dr. Hasan Yakan Ondokuz Mayıs Üniversitesi, Türkiye
Amhimmid Ghayth Amhimmid Misbah
Kastamonu Üniversitesi, Türkiye
Kastamonu Üniversitesi, Türkiye
Prof. Dr. Muhammet Serdar ÇAVUŞ Kastamonu Üniversitesi, Türkiye
Prof. Dr. Temel Kan BAKIR Kastamonu Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Research on Chemical Intermediates (Q3) | ||
| Dergi ISSN | 0922-6168 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 08-2021 |
| Kabul Tarihi | 18-08-2021 | Yayınlanma Tarihi | 29-08-2021 |
| Cilt / Sayı / Sayfa | 47 / 12 / 4985–5005 | DOI | 10.1007/s11164-021-04576-7 |
| Makale Linki | http://dx.doi.org/10.1007/s11164-021-04576-7 | ||
| UAK Araştırma Alanları |
Organik Kimya
Spektroskopi
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| Özet |
| A series of novel isatin-based Schiff base derivatives, namely β-isatin aldehyde-N,N′-(thio)/carbohydrazone derivatives (1–8), have been synthesized. All of the compounds were purified, and IR, 1H NMR and 13C NMR spectroscopic methods and elemental analysis were used to characterize the compounds. Moreover, the in vitro antioxidant activity of the compounds was evaluated by 1,1-diphenyl-2-picrylhydrazyl (DPPH) free radical scavenging method and compared with standard natural antioxidant, gallic acid. Experimental data were supported by density functional theory (DFT) calculations. B3LYP hybrid functional with 6–311 + + g(2d,2p) basis set was used to calculate ground-state geometries, FMO energies and related chemical reactivity parameters of the compounds. In addition to the structural and spectral analysis calculations of the compounds, NBO, QTAIM, NCI, Fukui and DOS analyses were … |
| Anahtar Kelimeler |
| Antioxidant activity | Isatin | Quantum chemical studies | Schiff bases | Spectroscopic techniques |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 27 |
| Scopus | 29 |
| Google Scholar | 32 |