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Issue 48, 2016
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The role of curvature in Diels–Alder functionalization of carbon-based materials

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Abstract

We have estimated theoretically the impact of curvature on the free energies of activation and reaction associated with Diels–Alder reactions on carbon-based materials. Significant reduction is observed for both energy values with increasing curvature for core-functionalization, while the opposite trend prevails for edge-functionalization, as further supported by SEM/fluorescence measurements.

Graphical abstract: The role of curvature in Diels–Alder functionalization of carbon-based materials

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Publication details

The article was received on 16 Feb 2016, accepted on 14 May 2016 and first published on 17 May 2016


Article type: Communication
DOI: 10.1039/C6CC01427E
Citation: Chem. Commun., 2016,52, 7608-7611
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    The role of curvature in Diels–Alder functionalization of carbon-based materials

    B. Willocq, V. Lemaur, M. El Garah, A. Ciesielski, P. Samorì, J.-M. Raquez, Ph. Dubois and J. Cornil, Chem. Commun., 2016, 52, 7608
    DOI: 10.1039/C6CC01427E

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