Abstract:
The Buckyball (C60) has the structure of a spherical surface having cage shaped Crystal form and made up of 60 carbon atoms. Since C60 has important applications in the technique of catalysis and super-conduction and in the development of new materials, the study of C60 has long attracted attention in the related fields. Yet so far only results of calculation of the energy spectrum of electrons have been given, whereas results concerning the electron orbits, distribution of electric charge and the order of bonds of C60 in quantum chemical calculations were not revealed. In this paper,calculations of orbits, distribution of electric charge and the distribution and order of bonds of C60 are given, using the method of difference quation of orbits estaboleshed by Li Xiangping. The results of calculation have its characteristic properties, vis.: Energy level equation dissolved into 10 equations of degree 6, making the calculation much simpler; Simpler formulas for the coefficients of orbit are obtained; numbers of electric charge in the neighbourhood of a C60 atom is independent of the longitud, depending only on the latitude of the atom.