Synthesis, structural characterization, Hirshfeld surface analysis, antimicrobial activity, and DNA cleavage studies of (Z)-4-methyl-N'-(phenyl (pyridin-2-yl) methylene …
Yazarlar (5)
| Makale Türü | Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure | ||
| Makale Dili | – | Basım Tarihi | 11-2019 |
| Cilt / Sayı / Sayfa | 1196 / 0 / 760–770 | DOI | – |
| Makale Linki | https://www.sciencedirect.com/science/article/pii/S0022286019308427 | ||
| UAK Araştırma Alanları |
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| Özet |
| The NNO tridentate Schiff base ligand of 2-benzoyl pyridine sulfonyl hydrazone (HL) and its transition metal complexes [CoL2] (1), [NiL2] (2) and [ZnL2] (3) have been synthesized and characterized by analytical and spectroscopic studies. The molecular structures of HL and [NiL2] (2) have been investigated by X-ray diffraction and DFT/B3LYP methods. Based on the optimized structures, a single point energy calculation was made for HL and (2) in the different solvent media. The stability of the molecular structures was investigated in different solvent environments by calculating the molecular orbital energies and total energies of the molecular structures. The global reactivity parameters were obtained and the interactions between the molecules with DNA bases such as adenine, cytosine, guanine, and thymine were investigated by using the ECT (electrophilicity-based charge transfer) method and ΔN (charge … |
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