Synthesis and Structure of Silicon-doped Heterofullerenes

Abstract

We report on the synthesis of ${\mathrm{C}}_{2n\ensuremath{-}q}{\mathrm{Si}}_{q}$ clusters with $2n\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}32\ensuremath{-}100$ and $q<4$. The analysis of the abundance distribution and photofragmentation spectra provides clear evidences that such clusters remain in the fullerene geometry and that the Si atoms are located close to each other in the fullerene network. These results are corroborated by ab initio calculations within the density functional theory. The stability and electronic properties of these heterofullerenes are discussed.