Axial ligand and solvent effects on the O-O bond activation in acylperoxo complexes of [(salen)Mn(super III)L]: Mn(super IV) versus Mn(super V) oxo species

Article Abstract:

An investigation was conducted on the role of the axial ligand L in the O-O bond cleavage in Mn-Salen based trans-acelperoxo complexes by the density functional (B3LYP) method for L=NH3 and HCO2(super -). It was shown that coordination of an axial ligand L to the trans isomer of 2, 2-trans, substantially reduces the triplet-quintet energy gap from +12.4 to 1.8 and -0.3 kcal/mol, and consequently decreases the overall barrier for the O-O bond cleavage producing 2-trans-L-oxo species from 19.5 to 10.2 and 10.9 kcal/mol for L=none, HCO2(super -), and NH3 respectively.

Electric properties, Density functionals, Density functional theory, Chemical bonds, Solvents

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Influence of alkali metal cations on the rate of oxygen evolution from a mixed Mg- LiCoO2 oxide

Article Abstract:

O2 evolution effects recorded on an Mg- doped lithium cobalt oxide (Mg- LiCoO2) in LiOH, KOH, and CsOH in the absence of supporting electrolytes are dealt with. The result states that the interaction sequence, Li(super +)>K(super +)>Cs(super +) is similar to that observed at the interface of many structurally and chemically unrelated oxides suspended in water and is attributed to entropic contributions from interactions of water molecules bonded in the hydration ion cosphere and at the oxide solution interface.

Chemistry, Physical and theoretical, Physical chemistry, Alkali metal compounds

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Adsorption properties of iron and iron-manganese catalysts investigated by in-situ diffuse reflectance FTIR spectroscopy

Article Abstract:

The adsorption properties of the precipitated Fe and FeMn catalysts were studied by in-situ diffuse reflectance FTIR using CO, No, and CO+H2 (syngas) as probe molecules. The adsorption features of the Fe(0) particles formed on the FeMn particles formed on the FeMn samples reduced either in syngas or in H2 are quite similar, suggesting that the adsorption properties of the reduced FeMn are not determined by the formed iron carbides, but rather by surface Fe(0) particles of different sizes.

Iron compounds, Adsorption

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