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Triazole based copper( II ) complexes: Synthesis, spectroscopic characterization, Density Function Theory study, and biomimicking of copper containing oxidase proteins
Author(s) -
Ibrahim Mohamed M.,
Fathy Ahmad M.,
AlHarbi Sami A.,
Ramadan Abd ElMotaleb M.
Publication year - 2021
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.202100048
Subject(s) - chemistry , copper , electron paramagnetic resonance , denticity , catechol oxidase , trigonal bipyramidal molecular geometry , crystallography , schiff base , chelation , catalysis , ligand (biochemistry) , inorganic chemistry , crystal structure , organic chemistry , enzyme , nuclear magnetic resonance , polyphenol oxidase , peroxidase , physics , receptor , biochemistry
Within the framework of the present study, a polydentate ligand with S and N donor sites along with its Cu II ‐based chelates were prepared and characterized. Elemental and thermal analyses, μ eff and Λ M measurements as well as spectroscopy techniques including FT‐IR, electronic spectra, and EPR are the characterization tools. Computational chemistry calculations were applied to confirm the geometrical assignments of the penta and hexa coordinated perchlorato and chloro derivatives, respectively. Octahedral and trigonal bipyramidal stereochemistries were assigned for these copper(II) chelates. Powder X‐ray spectroscopy data were processed by Expo 2014 computer program for the structural illustration of one of the existing octahedral metal complexes. Biomimicking of copper(II) containing proteins phenoxazinone synthase and catechol oxidase was studied and the obtained results demonstrated promising oxidase‐like activity of the present Cu II ‐base complexes. Kinetic measurements were also performed to identify the potential catalytic pathways of the studied oxidation processes. The type of the counter‐anion included in the complexes significantly controls the structural features and the catalytic properties.