POSSIBILITY OF CLOSING BENZENE STRUCTURE INSIDE HETERO-DERIVATIVES OF FULLERENE C60 AS INDICATOR OF USING THEM AS THE CARRIERS OF DRUGS CONTAINING BENZENE RING

Fullerene molecules are created entirely of carbon and have a highly unusual attributes. The smallest structure in the fullerene family is conformation C20 which consists of pentagonal rings only, resulting in its instability. The C60 is the first fullerene containing 12 pentagonal and 20 hexagonal rings in which pentagons do not share an edge. It results in good stability of the carbon cage. The structure of C60 is a truncated icosahedron, with two different bond lengths: the ones between two hexagons are shorter (bond c-c length 1.44 A) then between a hexagon and a pentagon (double-bond c=c length 1.39A); average bond length is 1.4 A (1,2,3). The one of the fullerene derivatives are heterofullerenes when one or more carbon atoms that form the fullerene carbon cage are replaced by a non-carbon atom, i.e., a heteroatom.(2) Exactly 180 σ bonds are located on the surface C60, and the whole carbon cage is surrounded by cloud consisting of 60 delocalized π electrons. Their orbitals are arranged along the rays and the energy is similar to the Fermi energy level (3). The aim of the study was to determine the effect of the aromatic compound (benzene) on the boron, silicon and sulfur fullerene C60 hetero derivatives stability. All created complexes are classified as endohedral heterofullerenes. They were created by substitution of 5 or 6 carbon atoms of the fullerene's cage by heteroatoms and all the heteroatoms were presented in the same pentagonal or hexagonal ring. The chosen heteroatoms were occupied only one ring of one type. The only one benzene molecule was trapped inside of the heterofullerens cages.