Cover Picture: Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster (Chem. Eur. J. 29/2012)

Authors

  • Dr. Sílvia Osuna,

    1. Department of Chemistry and Biochemistry, University of California, Los Angeles, 607 Charles E. Young Drive, Los Angeles, CA 90095 (USA)
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  • Dr. Ramón Valencia,

    1. Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel⋅lí Domingo s/n, Campus Sescelades, 43007 Tarragona (Spain)
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  • Dr. Antonio Rodríguez-Fortea,

    Corresponding author
    1. Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel⋅lí Domingo s/n, Campus Sescelades, 43007 Tarragona (Spain)
    • Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel⋅lí Domingo s/n, Campus Sescelades, 43007 Tarragona (Spain)
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  • Prof. Marcel Swart,

    Corresponding author
    1. Institut de Química Computacional i Departament de Química, Universitat de Girona, Campus Montilivi s/n, 17071 Girona (Spain)
    2. Institució Catalana de Recerca i Estudis Avançats (ICREA), Pg. Lluís Companys 23, 08010 Barcelona (Spain)
    • Institut de Química Computacional i Departament de Química, Universitat de Girona, Campus Montilivi s/n, 17071 Girona (Spain)
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  • Prof. Miquel Solà,

    Corresponding author
    1. Institut de Química Computacional i Departament de Química, Universitat de Girona, Campus Montilivi s/n, 17071 Girona (Spain)
    • Institut de Química Computacional i Departament de Química, Universitat de Girona, Campus Montilivi s/n, 17071 Girona (Spain)
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  • Prof. Josep M. Poblet

    Corresponding author
    1. Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel⋅lí Domingo s/n, Campus Sescelades, 43007 Tarragona (Spain)
    • Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel⋅lí Domingo s/n, Campus Sescelades, 43007 Tarragona (Spain)
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Abstract

original image

Endohedral metallofullerenes (EMFs) have attracted much more attention since the synthesis of the most abundant EMF, Sc3N@C80, in 1999 by Dorn and co-workers. In their Full Paper on page 8944 ff., A. Rodríguez-Fortea, M. Swart, M. Solà, J. M. Poblet et al. report a detailed theoretical analysis of the Diels–Alder cycloaddition of s-cis-1,3-butadiene on Sc3N@C80 and other related systems. Calculations show that the kinetic analysis is necessary to rationalize the reactivity properties of EMFs.

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