Synthesis, characterization and catecholase-like activity of new Schiff base metal complexes derived from visnagin: Theoretical and experimental study
Yükleniyor...
Dosyalar
Tarih
2016
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
A new tetradentate, unsymmetrical Schiff base ligand (H2L) containing a donor set of N2O2 and its mononuclear Cu(II) and Fe(II) complexes ([CuL] and [FeL]), were synthesized and characterized on the basis of their elemental analysis, FT-IR, Raman, H-1 and C-13 NMR spectra, electronic and mass spectra, molar conductivity and magnetic susceptibility measurements. Density functional theory (DFT) calculations were performed in order to clarify molecular structures, 1H NMR and 13C NMR chemical shift values, frontier molecular orbitals (FMOs), nonlinear optical properties and map of molecular electrostatic potential (MEP) of the title molecules. In agreement with trials, the results provide a full explanation of the highest efficiency observed for the compounds in relation to the electronic and the structural characteristics. The catecholase-like activity of the complexes toward the oxidation of 3,5-ditert-butylcatechol (3,5-DTBC) to the corresponding quinone showed that both complexes have moderate catalytic activity. [FeL] shows higher activity (k(cat) = 26.4 h(-1)) than that of [CuL] (k(cat) = 23.4 h(-1)). (c) 2016 Elsevier B.V. All rights reserved.
Açıklama
Anahtar Kelimeler
Visnagin, Schiff base, Metal complexes, Catecholase-like activity, Michaelis Menten kinetics, Density functional theory (DFT)
Kaynak
Journal of Molecular Structure
WoS Q Değeri
Q3
Scopus Q Değeri
Q1
Cilt
1119
