Synthesis and Characterization of a Non-IPR Fullerene Derivative: Sc3N@C68[C(COOC2H5)2]

A non-IPR (isolated pentagon rule) trimetallic nitride endohedral metallofullerene derivative, a diethyl malonate adduct of Sc3N@C68, was synthesized, isolated, and characterized by mass spectrometry and NMR spectroscopy. The proposed addition site of Sc3N@C68 monoadduct was in good agreement with the experimental and calculated 13C NMR spectra, LUMO electron density study, and UV−vis spectroscopy.