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  • Title: Regioselective bis-functionalization of endohedral dimetallofullerene, La2@C80: extremal La-La distance.
    Author: Ishitsuka MO, Sano S, Enoki H, Sato S, Nikawa H, Tsuchiya T, Slanina Z, Mizorogi N, Liu MT, Akasaka T, Nagase S.
    Journal: J Am Chem Soc; 2011 May 11; 133(18):7128-34. PubMed ID: 21495638.
    Abstract:
    Bis-functionalization of endohedral metallofullerene La(2)@C(80) by carbene addition is reported herein. Adducts were characterized using spectroscopic and single-crystal X-ray structure analyses. Crystallographic data for bisadduct La(2)@C(80)(CClPh)Ad (3, Ad = adamantylidene) revealed that both carbene additions occur at the 6,6-bond junction on the C(80) cage with ring cleavages and that La atoms are positioned collinearly with spiro carbons. It is noteworthy that the La-La distance in 3 is highly elongated by carbene bis-functionalization compared to the distance in pristine La(2)@C(80) and reported functionalized derivatives. The metal positions were confirmed through density functional calculations.
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