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Cubane oxides inside middle-size fullerenes: the next endohedrals to be detected?

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Abstract

From a comparison with the already isolated and characterized Sc4(μ3-O)3@C80 metallofullerene, we propose here that an even larger 8-atom cubane oxide M4(μ3-O)4 could also be encapsulated inside other middle-size fullerenes that would formally accept four electrons. Several possibilities are suggested for M = Sc and Lu.

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Acknowledgments

This work was supported by the Spanish Ministerio de Ciencia e Innovación (Project No. CTQ2011-29054-C02-01) and by the Generalitat de Catalunya (2014SGR-199 and XRQTC). L.A. thanks the Generalitat de Catalunya (FI-DGR 2014) for a predoctoral fellowship.

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Authors and Affiliations

  1. Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel·lí Domingo, s/n, Campus Sescelades, 43007, Tarragona, Spain

    Núria Alegret, Laura Abella, Antonio Rodríguez-Fortea & Josep M. Poblet

Authors
  1. Núria Alegret
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  2. Laura Abella
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  3. Antonio Rodríguez-Fortea
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  4. Josep M. Poblet
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Corresponding authors

Correspondence to Antonio Rodríguez-Fortea or Josep M. Poblet.

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Published as part of the special collection of articles derived from the XI Girona Seminar and focused on Carbon, Metal, and Carbon-Metal Clusters.

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Alegret, N., Abella, L., Rodríguez-Fortea, A. et al. Cubane oxides inside middle-size fullerenes: the next endohedrals to be detected?. Theor Chem Acc 134, 15 (2015). https://doi.org/10.1007/s00214-014-1608-0

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  • DOI: https://doi.org/10.1007/s00214-014-1608-0

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