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Issue 45, 2017
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Size-dependent conformational change in halogen–π interaction: from benzene to graphene

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Abstract

Diatomic halogen molecules X2 (X = Cl/Br) favor the edge-to-face conformation on benzene with significant electrostatic interaction via halogen bonding. In contrast, they favor the stacked conformation on graphene with negligible electrostatic interaction. As the aromatic ring expands, the inner facial side becomes almost electrostatically neutral. On coronene, the two conformations are compatible.

Graphical abstract: Size-dependent conformational change in halogen–π interaction: from benzene to graphene

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Article information


Submitted
24 Apr 2017
Accepted
15 May 2017
First published
15 May 2017

Chem. Commun., 2017,53, 6140-6143
Article type
Communication

Size-dependent conformational change in halogen–π interaction: from benzene to graphene

D. Y. Kim, J. M. L. Madridejos, M. Ha, J. Kim, D. C. Yang, C. Baig and K. S. Kim, Chem. Commun., 2017, 53, 6140
DOI: 10.1039/C7CC03116E

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