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  • Title: Gd3N@C2n (n = 40, 42, and 44): remarkably low HOMO-LUMO gap and unusual electrochemical reversibility of Gd3N@C88 .
    Author: Chaur MN, Melin F, Elliott B, Athans AJ, Walker K, Holloway BC, Echegoyen L.
    Journal: J Am Chem Soc; 2007 Nov 28; 129(47):14826-9. PubMed ID: 17983231.
    Abstract:
    High-performance liquid chromatography was used to isolate two new trimetallic nitride endohedral fullerenes, Gd3N@C2n (n = 42 and 44), and they were characterized by MALDI-TOF mass spectrometry, UV-vis-NIR, and cyclic voltammetry. It was found that their electronic HOMO-LUMO gaps depend pronouncedly on the size of the cage, from a large band gap for Gd3N@C80 (2.02 V) to a small band gap for Gd3N@C88 (1.49 V). The electrochemical properties also change dramatically with the size of the cage, going from irreversible for the C80 cage to reversible for Gd3N@C88. The latter is the largest trimetallic cluster inside C88 isolated and characterized to date. Gd3N@C88 has one of the lowest electrochemical energy gaps for a nonderivatized metallofullerene.
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