Issue 48, 2016
From the journal:

Chemical Communications

The role of curvature in Diels–Alder functionalization of carbon-based materials†

B. Willocq,a   V. Lemaur,b   M. El Garah,c   A. Ciesielski,c   P. Samorì,c   J.-M. Raquez,a   Ph. Duboisa  and  J. Cornil*b  

* Corresponding authors

a Laboratory of Polymeric and Composite Materials (LPCM), Center of Innovation and Research in Materials and Polymers (CIRMAP), University of Mons, Place du Parc 23, B-7000 Mons, Belgium

b Laboratory for Chemistry of Novel Materials, Center for Research in Molecular Electronics and Photonics, University of Mons, Place du Parc 20, B-7000 Mons, Belgium
E-mail: jerome.cornil@umons.ac.be

c ISIS & ICFRC, University of Strasbourg & CNRS, 8 Allée Gaspard Monge, 67000 Strasbourg, France

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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Article information

DOI
https://doi.org/10.1039/C6CC01427E
Article type
Communication
Submitted
16 Feb 2016
Accepted
14 May 2016
First published
17 May 2016

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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