Experimental and Theoretical Studies of the Scandium Carbide Endohedral Metallofullerene Sc₂C₂@C₈₂ and Its Carbene Derivative

Abstract

It's what's on the inside that counts: The structure of Sc2C2@C82(III), as suggested by 13C NMR spectroscopy and density functional calculations (see picture, left; C red and gray, Sc blue), contains two Sc and two C atoms inside the C82 cage. This mode of encapsulation is verified by X-ray single-crystal analysis of the cycloadduct of Sc2C2@C82(III) and adamantylidene carbene (see picture, right). Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2007/z701049_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.