Nature of 3d – transition metals chemical bond of in carbon nanotubes

Abstract

Communication of affinity degree to an electron and anti-oxidizing activity of a number of the aromatic polycondensed compounds, bakminsterfullerene (C60) and multiwall carbon nanotubes is studied. The research was conducted on the model of the initiated cumene oxidation reaction. It has been determined that anti-oxidizing activity of the specified substances of the aromatic polycondensed compounds grows with increase in degree of their affinity to an electron, reaching the maximum value for fullerene C60 and multiwall carbon nanotubes.Electronic states of 3d-metals entered into the volume of carbon nanotubes (NT) have been studied. The analysis of an electronic structure, charging distributions and parameters of interatoms interactions in the specified nanostructures depending on structure of NT or the location of metal atom have been carried out. Possible changes of some physicochemical properties of nanotubes containing 3dmetals have been discussed.