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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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Publication details

The article was received on 24 Apr 2017, accepted on 15 May 2017 and first published on 15 May 2017


Article type: Communication
DOI: 10.1039/C7CC03116E
Citation: Chem. Commun., 2017, Advance Article
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    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, Advance Article , DOI: 10.1039/C7CC03116E

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