Recent observations of transitions in the non-linear polarizability of submonolayers of metal atoms on silicon, and between insulating and metallic behavior for electrons in silicon inversion layers, indicate the need for further study of the electronic states in such systems. In this work, the projected density of states and normalizations for individual states are used to characterize the loc...

a binuclear macrocyclic ligand containing dissimilar n(amine)2o2 and n(imine)2o2 coordination sites sharing two phenolic oxygen atoms, was prepared by cyclic condensation of dialdehyde precursor l1h2 with 1,3-diaminopropane. the ligand includes two propionitrile pendant arms on the amine nitrogen atoms. the homobimetallic complex [znl2zn(oac)]pf6 was synthesized by one step procedure. heterobim...

The title compound, [Ni(C(8)H(3)BrO(4))(C(5)H(5)N)(3)], is the first structurally characterized complex with a transition metal coordinated by a 5-bromo-isophthalate anion. The Ni(II) ion is coordinated by three O atoms from the carboxyl-ate groups and three N atoms from three pyridine ligands in a distorted octa-hedral coordination geometry. The 5-bromo-isophthalate anion is planar within 0.05...

Using ab initio calculations we study the stability of Si-based cages and nanotubes stabilized by encapsulated transition metal atoms ~TMAs!. It is demonstrated that the stabilization of these cages and nanotubes as well as their magnetic properties are strongly guided by a delicate interplay between the attainable symmetry of the system and the d-band filling of the encapsulated TMA. As a resu...