Electronic structure and conditions for chemical stabilization of fullerene C-28. Endohedral M@C-28 complexes (M = Sc, Ti, V, Cr, Fe, Cu)

Self-consistent calculations of the electronic structure of the endohedral complexes M@C-28 based on the small fullerene C-28 (where M = Sc, Ti, V, Cr , Fe, and Cu) were performed by the nonempirical method of electron density functional in the discrete variational scheme. The comparative stability, specific features of the electron states and charge distributions, and the chemical bond in the series of endocomplexes under study are discussed. The Ti@C-28 complex was found to have a maximum chemical stability, while the formation of the endohedral.Cu@C-28 complex is least probable.