Savenko A. The peculiarities of hydrogenation of fullerite C60

Processes taking place while hydrogenation crystalline structure of fullerenes - fullerite with gaseous hydrogen to maximum possible its concentration both in crystalline lattice and molecular sites - fullerene molecules, are being considered in the work. The initial phase of the process of hydrogenation of fullerene is determined with two typical periods of physical sorption with molecular adsorption on crystal surface and diffused absorption of hydrogen molecules in octahedral interstitial sites and hydrogen atoms in tetrahedral interstitial sites of FCC structure lattice of fullerite. Octahedral and tetrahedral interstitial sites in fullerite filled with hydrogen from molecular and atomic sublattices of solid interstitial solution. The following stage in hydrogenation of fullerene is characterized with dissociation chemosorption with atomic hydrogen of molecular sites of crystalline lattice and consists to two phases. It is typical for the first phase that the process of chemosorption is performed uniformly on all energy-wise of equal worth molecules of fullerene in all volume of crystal. Energy equivalence of molecule of fullerene is stipulated with quality of atoms of hydrogen on its outer shell and depends on temperature of the system. Topochemistry of reaction corresponds to volumetric formation of hydride. The second phase has diffusely-limited character of the process where there are no equipartition of atoms of hydrogen between all fullerene molecules and topochemical model of compressive shell corresponds to it.