I n this issue of PNAS, Schoonheydt, Solomon, and coworkers (1) definitively characterize the structure of the Cu-ZSM-5 site that oxidizes methane to methanol. With the successful correlation of a specific copper-oxy structure to such reactivity, the importance of this work extends beyond hydrocarbon oxidation on zeolites. This breakthrough potentially has farreaching implications in both the f...

The mixed-metal title compound, BaCu1/3Ta2/3S3 [barium copper(II) tantalum(V) tris-ulfide], was prepared through solid-state reactions. The crystal structure adopts the BaTaS3 structure type and consists of face-sharing [MS6] (M = Ta,Cu) octa-hedra (point-group symmetry -3m.) that are condensed into infinite chains along [001]. Adjacent chains are linked through the barium cations (site symmetr...

Activated oxygen intermediates during copper zinc superoxide dismutase (SOD) catalysis were investigated using an isotope fractionation technique and natural abundance reagents. Competitive oxygen kinetic isotope effects (KIEs) are reported for the enzyme-catalyzed disproportionation of superoxide as well as the stoichiometric reaction of reduced SOD with molecular oxygen. Analysis within the c...

La4Cu3MoO12 is a new (ABO3)n)4 cuprate with mixed B-cations in a ratio of 1:3. When synthesized at ambient pressure, the structure is not perovskite as expected but rather a homeotype of YAlO3, a rare-earth hexagonal phase. While the P63/mmc and Pmnm space groups can be used to model average structures which appear in quenched samples; powder, electron, and neutron diffraction data all confirm ...

High-energy-resolution-fluorescence-detected X-ray absorption near-edge structure (HERFD-XANES) spectroscopy is shown to be a sensitive tool to investigate the electronic changes of copper complexes induced by geometric distortions caused by the ligand backbone as a model for the entatic state. To fully exploit the information contained in the spectra gained by the high-energy-resolution techni...

Then cuIi = 0. Hence every c -̂Ii = 0, Ji = L44. But Ii is free of At. Hence h = Ö, I = 0, £ = 0. THEOREM. Every linear covariant of q± is a linear function ofL,A4L,KL. Next, let co > 1. After subtracting from C a constant multiple of qJJ*", whose leader is b^u, we have d = 0 in S. Express S± as a polynomial in c^, cw, fei, and call p the coefficient of their product. The coefficient of c^Cis in...

The magnetic structure of the [Cu4(bpy)4(aspartate)2(H2O)3](ClO4)4.2.5 H2O crystal -- using fractional coordinates determined at room-temperature -- has been analysed in detail. This analysis has been carried out by extending our first principles bottom-up theoretical approach, which was initially designed to study through-space magnetic interactions, to handle through-bond magnetic interaction...