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A new model for dioxygen binding in hemocyanin. Synthesis, characterization, and molecular structure of the .mu.-.eta.2:.eta.2 peroxo dinuclear copper(II) complexes, [Cu(HB(3,5-R2pz)3)]2(O2) (R = isopropyl and Ph)

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TLDR
In this article, the synthesis and characterization of μ-η 2 : η 2 peroxo dinuclear copper(II) complexes which to oxyhemocyanin (or oxytyrosinase) in their physicochemical properties are presented.
Abstract
The synthesis and characterization of μ-η 2 :η 2 peroxo dinuclear copper(II) complexes which to oxyhemocyanin (or oxytyrosinase) in their physicochemical properties are presented. The low-temperature reaction of a di-μ-hydroxo copper(II) complex [Cu(HB(3,5-i-Pr 2 pz) 3 )] 2 (OH) 2 (8) with H 2 O 2 gave a μ-peroxo complex [Cu(HB(3,5-i-Pr 2 pz) 3 )] 2 (O 2 ) (6)

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Theoretical study of oxyhemocyanin active site: a possible insight on the first step of phenol oxidation by tyrosinase.

TL;DR: The results show the important role played by the third remote imidazole ligand in the first step of tyrosinase-mediated phenol oxidation and the dependence of the energy and of the molecular electrostatic maps on the precise orientation and location of the imidAZole rings has been investigated.
Journal ArticleDOI

A new class of biomimetically relevant ‘Scorpionate’ ligands III. The bis(pyrazolyl)methane(phen-2′-ol)s: Synthesis and structural characterization of mono and dinuclear copper(II) complexes

TL;DR: In this paper, the tridentate, mixed functionality ligands, bis(pyrazol-1-yl)methane(phen-2′-ol) (L1OH), bis(3,5-dimethyl pyrazol 1-yl), and bis(phen2′)-ol)(L2OH), were characterized by X-ray crystallography, giving the following structural parameters.
Journal ArticleDOI

Quantum Monte Carlo study of porphyrin transition metal complexes.

TL;DR: The study shows that such calculations are feasible with the DMC method and in reasonable agreement with those obtained from density functional theory calculations using the B3LYP hybrid exchange-correlation functional.
Journal ArticleDOI

Pyrazole Supported Zinc(II) Benzoates as Catalysts for the Ring Opening Copolymerization of Cyclohexene Oxide and Carbon Dioxide

TL;DR: The bis(pyrazole)zinc(II) benzoate complexes were synthesized from the reaction of 3,5-diphenyl pyrazole (L1) or 3-5-di-tert-butylpyrazoles (L2), zinc(II), acetate and the appropriate benzene carboxylic acid as mentioned in this paper.
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