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A new zinc (II) complex with N2O2-tetradentate schiff-base derived from pyridoxal-S-methylthiosemicarbazone: Synthesis, characterization, crystal structure, DFT, molecular ...  
Yazarlar (5)
Qumars Poladian
Onur Şahin
Tuncay Karakurt
Berat İlhan-Ceylan
Yasemin Kurt
Devamını Göster
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 ...
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü Uluslararası alan indekslerindeki dergilerde yayımlanan tam makale
Dergi Adı Polyhedron
Dergi Tarandığı Indeksler
Makale Dili İngilizce
Basım Tarihi 06-2021
Cilt No 201
Sayfalar 115164 / 0
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Google Scholar 37

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