Cover Picture

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)

  1. Dr. Sílvia Osuna2,
  2. Dr. Ramón Valencia1,
  3. Dr. Antonio Rodríguez-Fortea1,*,
  4. Prof. Marcel Swart3,4,*,
  5. Prof. Miquel Solà3,*,
  6. Prof. Josep M. Poblet1,*

Article first published online: 10 JUL 2012

DOI: 10.1002/chem.201290120

Issue

Chemistry - A European Journal

Chemistry - A European Journal

Volume 18, Issue 29, page 8849, July 16, 2012

Additional Information

How to Cite

Osuna, S., Valencia, R., Rodríguez-Fortea, A., Swart, M., Solà, M. and Poblet, J. M. (2012), 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). Chem. Eur. J., 18: 8849. doi: 10.1002/chem.201290120

Author Information

  1. 1

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

  2. 2

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

  3. 3

    Institut de Química Computacional i Departament de Química, Universitat de Girona, Campus Montilivi s/n, 17071 Girona (Spain)

  4. 4

    Institució Catalana de Recerca i Estudis Avançats (ICREA), Pg. Lluís Companys 23, 08010 Barcelona (Spain)

*Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel⋅lí Domingo s/n, Campus Sescelades, 43007 Tarragona (Spain)

Publication History

  1. Issue published online: 10 JUL 2012
  2. Article first published online: 10 JUL 2012

SEARCH

SEARCH BY CITATION

ARTICLE TOOLS

View Full Article (HTML) Get PDF (2454K)

Keywords:

  • cycloaddition;
  • density functional calculations;
  • Diels–Alder reaction;
  • fullerenes;
  • thermodynamics
Thumbnail image of graphical abstract

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.

View Full Article (HTML) Get PDF (2454K)