The mononuclear copper title complex {N,N,N',N'-tetra-kis-[(6-methyl-pyridin-2-yl)meth-yl]ethane-1,2-di-amine-κ6N}copper(II) bis-(tetra-fluorido-borate), [Cu(C30H36N6)](BF4)2, is conveniently prepared from the reaction of Cu(BF4)2·6H2O with N,N,N',N'-tetra-kis-[(6-methyl-pyridin-2-yl)meth-yl]ethane-1,2-di-amine (tmpen) in aceto-nitrile at room temperature in air. The complex shows a distorted o...

The mononuclear title complex, [Cu(SCN)2(C12H8N4S)2], was obtained by the reaction of 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole and potassium thio-cyanate with copper(II) chloride dihydrate. The copper cation lies on an inversion centre and displays an elongated octa-hedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazo...

We demonstrate the redox potential calculation relative to the normal hydrogen electrode (NHE) in nonaqueous solution using a density functional theory-based molecular dynamics (DFT-MD) simulation. The calculation of the NHE in nonaqueous solution consists of two processes: the first step is the equilibrated simulation for a proton in nonaqueous solution to determine the space for inserting a p...

In the title complex, [Cu(C(17)H(13)N(2)O)(2)], the Cu(II) atom is tetra-coordinated by two N atoms and two O atoms from two bidentate 1-[(E)-o-tolyl-diazen-yl]-2-naphtho-late ligands, forming a slightly distorted square-planar environment. The two N atoms and two O atoms around the Cu(II) atom are trans to each other, with an O-Cu-O bond angle of 177.00 (9)° and an N-Cu-N bond angle of 165.63 ...

in present study, molecular dynamics simulation of cadmium (ii), lead (ii) and copper (ii) removal from aqueous electrolyte solutions using the ion-exchange process with the zeolite particles was done. the results showed that, most of the particles had the highest affinity of ion exchanging with lead (ii) and the lowest affinity with copper (ii). the calculated mean ion-exchange ratios showed t...

In present study, molecular dynamics simulation of Cadmium (II), Lead (II) and Copper (II) removal from aqueous electrolyte solutions using the ion-exchange process with the zeolite particles was done. The results showed that, most of the particles had the highest affinity of ion exchanging with Lead (II) and the lowest affinity with Copper (II). The calculated mean ion-exchange ratios showed t...

The asymmetric unit of title compound, [Cu(NCS)(C(10)H(8)N(2))(2)]ClO(4), contains a bis-(2,2'-bipyridine)(isothio-cyanato)copper(II) cation and a perchlorate anion. In the cation, the Cu(2+) ion is coordinated by four N atoms from two bidentate 2,2'-bipyridine mol-ecules and an N atom from an isothio-cyanate anion, resulting in a distorted CuN(5) pyramidal configuration. The crystal structure ...

Copper ATPases, in analogy with other members of the P-ATPase superfamily, contain a catalytic headpiece including an aspartate residue reacting with ATP to form a phosphoenzyme intermediate, and transmembrane helices containing cation-binding sites [TMBS (transmembrane metal-binding sites)] for catalytic activation and cation translocation. Following phosphoenzyme formation by utilization of A...

uv/tio2 photocatalysis of chelated copper in aqueous solutions has been performed starting from cu(ii)-tartaric acid, cu(ii)-citric acid, cu(ii)-edta and cu(ii)-dtpa,in the presence of oxygen and at acidic ph. the photocatalytic reaction obeys first-order kinetic equation. the influence of cu(ii) on photocatalytic oxidation of organic ligands and how the various organics will affect the treatmen...