Controlling supramolecular self-assembly is a fundamental step towards molecular nanofabrication, which involves a formidable reverse engineering problem. It is known that a variety of structures are efficiently obtained by assembling appropriate organic molecules and transition metal atoms on well-defined substrates. Here we show that alkali atoms bring in new functionalities compared with tra...

In this work, we report results of calculations based on the density functional theory of different species metal-ozone, containing mercury, silver and gold. The chosen species range from small molecules and large transition-metal containing ozone with mercury, silver and gold complexes. A comparative analysis of the description of the metal-oxygen bond obtained by different methodologies is pr...

Aromaticity is an important concept in chemistry primarily for organic compounds, but it has been extended to compounds containing transition-metal atoms. Recent findings of aromaticity and antiaromaticity in all-metal clusters have stimulated further research in describing the chemical bonding, structures and stability in transition-metal clusters and compounds on the basis of aromaticity and ...

A number of redox-active coordination polymers (CPs) or metal- organic frameworks (MOFs) have been successfully synthesized using transition metals and bridging ligands. This article aims to deal with gathering the aforementioned disperse issues regarding the electroactive CPs. It also goes towards illustrating the effects of various factors on the electrochemical behavior of CPs including...

The two title isostructural and isomorphous complexes, [M(C6H10N4)2(H2O)2](NO3)2 (M is Co or Ni), contain the transition metal in a distorted octahedral geometry, coordinated by four N atoms of two neutral bidentate organic ligands in the equatorial plane and two water O atoms molecules in the axial positions. The cation is centrosymmetric, with the transition metal located on an inversion cent...

In a recent publication [Galanakis I et al 2006 Phys. Rev. B 74 140408(R)] we have shown that in the case of CrAs and related transition-metal chalcogenides and pnictides, crystallizing in the zinc-blende structure, the excess of the transition-metal atoms leads to half-metallic ferrimagnetism. The latter property is crucial for spintronic applications with respect to ferromagnets due to the lo...

Size-selected cationic transition-metal-doped silicon clusters have been studied with x-ray absorption spectroscopy at the transition-metal L2,3 edges to investigate the local electronic structure of the dopant atoms. For VSi16 + , the x-ray absorption spectrum is dominated by sharp transitions which directly reveal the formation of a highly symmetric silicon cage around the vanadium atom. In s...