New materials based on endohedral fullerenes: Mo"C60 complex

Abstract

In this paper a short introduction of endohedral fullerenes is given. Both, theoretical and experimental investigations of endohedral Mo"C60 are presented. Molybdenum consists of 42 electrons, but in the interaction with C60 cage, only 6 valence electrons are involved. On the other hand, molecule C60 has 360 electrons, but 240 electrons are included in molecular orbitales formation. Theoretical calculation was carried out using HyperChem 4.5 software package. Calculation predict that HOMO-LUMO gap is 8.06 eV. Basic procedure for preparing and producing of this complex is given. Results of this research are discussed. Our further investigation will be carried out with the aim of improving production, extraction, and separation of endohedral fullerenes. We will try to find out new possibilities for application of endohedral complexes.