T metal complexes, and particularly ruthenium polypyridine complexes, can be used as catalysts or photocatalysts capable of performing water oxidation [1] or oxidation of organic compounds.[2,3] They can also be used as chromophores to harvest solar energy due to their absorption in the visible region. Therefore, understanding the nature of the electronic excited states in transition-metal comp...

We present a systematic study of the complexation of the new pseudopeptidic ligand isophthaloylbisglycine (H(2)IBG) with divalent metal ions of varying ionic radius. This work represents the initial employment of H(2)IBG in the coordination chemistry of alkaline earth, 3d transition, Zn(II) and Cd(II) metal elements. Infrared, NMR, thermal, magnetic, adsorption and theoretical studies of these ...

The results of first principles electronic structure calculations for the metallic rutile and the insulating monoclinic M1 phase of vanadium dioxide are presented. In addition, the insulating M2 phase is investigated for the first time. The density functional calculations allow for a consistent understanding of all three phases. In the rutile phase metallic conductivity is carried by metal t2g ...

Late-transition-metal (low-oxidation state) clusters, with p-acceptor ligands and early-transition-metal (high-oxidation state) clusters, with p-donor ligands, have been intensively studied for several decades. Apart from the fascinating structural aspects of cluster compounds and rationalization of their bonding, much motivation for their study has been driven by potential applications. It was...

We discuss some aspects of the pressure (or interaction) driven Mott transition, in three-dimensional transition metal oxides by means of dynamical mean field theory. We isolate the universal properties of the transition from the aspects which depend more on the detailed chemistry of the compounds. In this light we can understand the main differences and the remarkable similarities between the ...

Introduction Since their discovery in the late 1960s, the [2,3]-sigmatropic rearrangements of sulfonium ylides have received considerable attention because of their applications in organic synthesis and their probable involvement in biochemical processes. The most common method for sulfonium ylide generation involves the removal of a proton from a sulfonium salt with a strong base. However, a m...

Cyclometallated compounds obtained via the well-known intramolecular C-H activation by transition metals of Nor Scontaining ligands may lead to organic heterocycles through reaction with alkynes. The mechanistic implications of the formation of both C-C and C-Y bonds are discussed. A reaction pathway involving insertion of the alkyne into the metalcarbon bond of the starting material followed b...