The different nature of bonding in Cu(super +)-glycine and Cu(super 2+)-glycine

Article Abstract:

The metal-glycine bonding in the biologically significant Cu(super +) and Cu(super 2+) pair has been investigated. To this end, the structure and vibrational frequencies for various coordination modes of Cu(super +) and Cu(super 2+) to glycine were determined using the hybrid three-parameter B3LYP density functional theory. Results show that glycine acquires an essential radical property that alters the relative metal affinities of the different basic sites, which favors the interaction of the metal cation with the carbon dioxide group compared with other coordinations.

Transition metals, Metal bonding, Chemical bonds, Copper ions

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X-ray absorption study of copper(II)-glycinate complexes in aqueous solution

Article Abstract:

The structures of copper(II)-glycine complexes occurring in aqueous solutions were examined using extended X-ray absorption fine structure (EXAFS). It was postulated that X-ray absorption spectroscopy was more appropriate than X-ray and neutron diffraction for the study of metal-amino acid interactions in dilute solutions. The utilization of the EXAFS technique in fluorescence medium facilitated the examination of diluted Cu(II) solutions. It was discovered that the bis(glycinato)copper(II) complex structure was determined for the first time in a solution.

Usage, Extended X-ray absorption fine structure, Solution (Chemistry), Solutions (Chemistry)

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Anion and cation effects on olefin adsorption on silver and copper halides: ab initio effective core study of pi-complexation

Article Abstract:

Anion and cation effects on the adsorption of C2H4 and C3H6 on CuX and AgX where X = F, Cl, Br, I, have been determined through an ab initio study of the effective core potentials (ECPs). The ECPs need only a small portion of the computational requirements used by the all-electron calculations method. Results show that the anion and cation effects have the following trend: F(super -) > Cl(super -) > Br(super -) > I(super -) for anions and Cu(super +) > Ag(super +) for cations. These findings show good agreement with experimental data.

Cations, Adsorption, Olefins, Alkenes, Anions

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