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Catechol oxidase and phenoxazinone synthase mimicking activity, X‐ray diffraction and density function theory study of pyridine and phenolate‐based manganese(II) and iron(III) complexes: Synthesis and spectroscopic characterization
Author(s) -
Ramadan Abd ElMotaleb M.,
Shaban Shaban Y.,
Ibrahim Mohamed M.,
Eissa Hatem,
AlSaidi Hamed M.,
Fathy Ahmad M.
Publication year - 2020
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.201900383
Subject(s) - chemistry , thermogravimetric analysis , catalysis , schiff base , manganese , metal , pyridine , chelation , reactivity (psychology) , ligand (biochemistry) , inorganic chemistry , crystallography , medicinal chemistry , organic chemistry , medicine , biochemistry , alternative medicine , receptor , pathology
A new series of Mn II and Fe III chelates containing pyridine and phenolate‐based ligands was synthesized by treating the metal salt in ethanol with the Schiff‐bases, which were formed in situ. Analytical (C, H, N, and M), thermal analysis (thermogravimetric analysis & differential thermogravimetric), and spectroscopic techniques (IR, UV–Vis, ESR) in addition to molar conductance and magnetic measurements were employed to characterize the prepared metal chelates. Mono‐nuclear metal complexes, with N 5 donor containing pentadentate Schiff‐base ligands were obtained. In addition, two dibridged homobinuclear iron(III) complexes with N 4 O donors containing phenolate‐based ligand were successfully isolated. Six‐coordinate complex species in an octahedral environment is proposed for both Mn II and Fe III metal complexes. The density function theory study was used to optimize the geometrical shapes of three of the existing metal complexes and to identify some global reactivity descriptors. In addition, spectral data of PXRD with Expo 2014's structural solution software were utilized in the structural illustration of a representative Mn II and Fe III complexes. Aerobic catalytic oxidation of 4‐ tert ‐butylcatechol (4‐TBCH 2 ) and o ‐aminophenol under catalytic conditions was studied by using the present manganese(II) and iron(III) complexes. The synthesized Mn II and Fe III chelates exhibited a promising catalytic activity and probable catalytic sequences have been discussed.