Synthesis of an Extensive Family of Sc2o@C2n (n=35-47) and Chemical Insight into the Small-Size Species

An extensive family of oxide cluster fullerenes (OCFs) Sc₂O@C_2n (n=35-47) has been facilely produced for the first time by introducing CO₂ as the oxygen source. Among this family, Sc₂O@C₇₀ was identified as the smallest OCF and therefore isolated and characterized by mass spectrometry, ⁴⁵Sc NMR, UV-Vis-NIR absorption spectroscopy, cyclic voltammetry and DFT calculations. The combined experimental and computational studies reveal a non-IPR isomer Sc₂O@C₂(7892)-C₇₀ with reversible oxidative behavior and lower bandgap relative to that of Sc₂S@C₂(7892)-C₇₀, demonstrating a typical example of unexplored OCF and underlining its cluster-dependant electronic properties. As for other OCF members, the related studies are still on the way.