Sinfonía de fullerenosla magia de la encapsulación

  1. Núria Alegret 1
  2. Antonio Rodríguez-Fortea 1
  3. Josep M. Poblet 1
  1. 1 Universitat Rovira i Virgili
    info

    Universitat Rovira i Virgili

    Tarragona, España

    ROR https://ror.org/00g5sqv46

Revista:
Anales de Química de la RSEQ

ISSN: 1575-3417,  2792-5250

Ano de publicación: 2014

Número: 2

Páxinas: 121-130

Tipo: Artigo

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Outras publicacións en: Anales de Química de la RSEQ

Resumo

Fullerenes are closed carbon cages formed by an even number of carbon atoms C2n. Endohedral fullerenes are those particular fullerenes with atoms or small molecules in their interior, mainly group 3 metals or rare earths. The diffi culty in the synthesis, separation and characterization of these compounds, as a consequence of the almost-nil amount of product obtained (mg), makes their study not so straightforward. It is at this point that computational chemistry becomes important. Based on an ionic model of interaction, simple rules to predict the most favoured carbon cages to encapsulate a given metal cluster have been proposed.

Fonte de datos: Dialnet