| Yazarlar |
Hasan Yakan
Ondokuz Mayıs Üniversitesi, Türkiye |
Doç. Dr. Muhammet Serdar ÇAVUŞ
Kastamonu Üniversitesi, Türkiye |
|
Emre Güzel
Sakarya Uygulamalı Bilimler Üniversitesi, Türkiye |
|
S Barış Arslan
|
Doç. Dr. Temel Kan BAKIR
Kastamonu Üniversitesi, Türkiye |
Doç. Dr. Halit MUĞLU
Kastamonu Üniversitesi, Türkiye |
| Özet |
| In this study, peripherally tetra 2-mercaptobenzimidazole group substituted cobalt and indium phthalocyanine complexes (2 and 3) were prepared from 4-(benzo[d]imidazole-2-ylthio)phthalonitrile (1) for the first time. Antioxidant behaviors and theoretical calculations of benzimidazole-substituted metallophthalocyanines are presented. The structures of these compounds were determined by the spectroscopic methods (IR, 1H NMR, UV–Vis and mass spectroscopies) and elemental analysis. Antioxidant activities of the compounds (1–3) were measured using 1,1-diphenyl-2-picrylhydrazyl (DPPH) method. Antioxidant activity was followed by 1 > 3 > 2 > Trolox. In addition, density functional theory (DFT) calculations were carried out to determine the stable electronic structure, charge density distributions, FMO energy eigenvalues, and electronegativity of the ligand (1) and complexes (2 and 3). NBO and QTAIM analysis were performed to investigate the relationship between the electronic properties and antioxidant activity of the compounds. |
| Anahtar Kelimeler |
| Antioxidant activity | DFT | Phthalocyanine | QTAIM | Spectroscopic methods |
| 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 | 02-2020 |
| Cilt No | 1202 |
| Sayı | 1202 |
| Doi Numarası | 10.1016/j.molstruc.2019.127259 |
| Makale Linki | https://www.sciencedirect.com/science/article/pii/S0022286019313687 |
| Atıf Sayıları | |
| SCOPUS | 13 |
