A new zinc (II) complex with N2O2-tetradentate schiff-base derived from pyridoxal-S-methylthiosemicarbazone: Synthesis, characterization, crystal structure, DFT, molecular …
Yazarlar (1)
Prof. Dr. Tuncay KARAKURT Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Polyhedron (Q1) | ||
| Makale Dili | – | Basım Tarihi | 06-2021 |
| Cilt / Sayı / Sayfa | 201 / 0 / 115164–0 | DOI | – |
| Makale Linki | https://www.sciencedirect.com/science/article/pii/S0277538721001467 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| A new unsymmetrical N2O2-tetradentate Schiff-base complex of zinc(II) was synthesized by the template reaction of pyridoxal-S-methylthiosemicarbazone and 2-hydroxy-4-methoxy-benzaldehyde as starting compounds. S-methylthiosemicarbazone (1) and zinc(II) complex [Zn(L)CH3OH] (2) were characterized by elemental analysis, FT-IR, UV–visible, 1H, and 13C NMR spectra. The molecular structure of the complex (2) was determined by single crystal X-ray diffraction technique. The structure consists of a distorted square-pyramidal geometry around the central metal, Zn(II). Quantum chemical calculations were carried out using density functional theory DFT/B3LYP, 6–31G (d), and LanL2DZ basis sets for theoretical characterization of the compounds. The experimental and theoretical data were compared comprehensively. The potential energy distribution (PED) analysis was performed for the assignment of … |
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