D.V. Schur, S.Yu. Zaginaichenko, T.N. Veziroglu

Through the analysis of the state and structure of the double bonds in the frame of fullerene molecule, this article attempts to explain the kinetic feature of hydrogenation of fullerene molecule. It is suggested that parabolic character of the kinetics of fullerene-hydrogen interaction is not only due the complication of diffusion process in the fullerite crystal, but also due to the transformations in the frame of fullerene molecule itself. The performed computer modeling of geometric probability of existence of 12 five-atomic molecules and 20 free spaces formed by these five-atom molecules and surrounded by six atoms of each, in the frame of fullerene molecule is confirmed by consideration of variants of accommodation of hydrogen atoms on the outer surface of the frame of fullerene C60 molecule during its hydrogenation. The computer modeling shows also that in the case of complete hydrogenation of fullerene C60 molecule there are good grounds to consider the increase of fcc lattice parameter of fullerite of 8 %. In this situation the lattice undergoes the degradation and checking of its parameter change cannot be experimentally. The status of the double bonds, affecting the chemical activity of C60 molecule and consequently the ability of fullerene molecule to interact with different number of reagents particles, is proposed in this paper. The peculiarities of the fullerene molecule formation and the mechanism of structural transformations of fullerene molecule in solutions and fullerite are considered.