The Mg K-edge and Zn K- and L3-edge X-ray absorption near edge spectra of Mg and Zn porphyrins in the ground state and low-lying optically excited states are calculated. Also computed are X-ray absorption near edge spectra of Fe(II) spin crossover compound in its ground and low-lying optically excited states, motivated by a recent experiment (J. Phys. Chem. A 2006, 110, 38). The calculated abso...

A Zn-MOF assembled from a new C(2h)-symmetric terphenyl dicarboxylate and DABCO was prepared and characterized by X-ray crystallography and gas sorption analysis: a preferential sorption of CO(2) over N(2) and H(2) was observed with an exceptionally high CO(2) adsorption enthalpy.

The title compound, [Zn(C(6)H(5)S)(2)(C(18)H(12)N(2))], was prepared as a model for future complexes that will be incorporated into light-harvesting arrays. The Zn(II) atom lies on a twofold rotation axis and the ligands are arranged tetra-hedrally around this atom. The benzene-thiol-ate ligand and the biquinoline ligand are nearly perpendicular to one another, making a dihedral angle of 84.09 ...

The paramount importance of zinc for a wide range of biological functions is based on its occurrence in thousands of known zinc proteins. To regulate the availability of zinc dynamically, eukaryotes have compartmentalized zinc and the metallothionein/thionein pair, which controls the pico- to nanomolar concentrations of metabolically active cellular zinc. Interactions of zinc with sulfur ligand...

A highly efficient electroallylation of carbonyl compounds in aqueous electrolyte in a divided cell with a catalytic amount of zinc consumption is reported.

Half-Heusler compounds XYZ, also called semi-Heusler compounds, crystallize in the MgAgAs structure, in the space group F 4̄3m. We report a systematic examination of band gaps and the nature (covalent or ionic) of bonding in semiconducting 8and 18electron half-Heusler compounds through first-principles density functional calculations. We find the most appropriate description of these compounds f...

Reactions of zinc sulfate and (R)- or (S)-(1-phenylethylamino)methylphosphonic acid (pempH(2)) in the presence of 1,4-benzenedicarboxylic acid (H(2)bdc) result in homochiral enantiomers (R)- and (S)-[Zn(4)(pempH)(4)(bdc)(2)].2H(2)O (). When H(2)bdc is replaced by 1,2,4,5-benzenetetracarboxylic acid (H(4)btec), enantiomers (R)- and (S)-[Zn(3)(pempH)(2)(btec)(H(2)O)(2)].H(2)O () are obtained. Com...

Thermochromic luminescent compounds with d10 metal ions are interesting materials for applications such as sensors or display devices. However, these properties are difficult to predict prior to their synthesis. In this communication, we investigated materials with structural assemblies known to be responsible of distinct luminescence mechanisms and show that they can be interesting potential t...

The emergence of the field of spintronics has brought half-metallic ferromagnets to the centre of scientific research. A lot of interest was focused on newly created transition-metal pnictides (such as CrAs) and chalcogenides (such as CrTe) in the metastable zinc-blende lattice structure. These compounds were found to have the advantage of high Curie temperatures in addition to their structural...