Perylene diimide triple helix formation in the solid-state

Haddow, Sarah L. and Ring, David J. and Bagha, Hena and Pearce, Nicholas and Nowell, Harriet and Blake, Alexander J. and Lewis, William and McMaster, Jonathan and Champness, Neil R. (2018) Perylene diimide triple helix formation in the solid-state. Crystal Growth and Design, 18 (2). pp. 802-807. ISSN 1528-7483

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The structural characterisation of single crystals of di-4-pyridyl-substituted 3,4,9,10-perylenetetracarboxylic diimide reveals a surprising triple helical arrangement. The intermolecular interactions that lead to such an arrangement are investigated by Hirshfeld surface analysis and indicate that the supramolecular structure arises due to a combination of C-H…O interactions and π-π stacking interactions between adjacent perylene diimide (PDI) species. The interplay of these interactions leads to the formation of a tubular structure enclosed by the triple helix of PDI molecules. In contrast, the analogous phenyl-substituted molecule forms a simple one-dimensional stack of PDI molecules which is also unusual in that the perylene core adopts an essentially planar arrangement despite bay-substitution.

Item Type: Article
Schools/Departments: University of Nottingham, UK > Faculty of Science > School of Chemistry
Identification Number: 10.1021/acs.cgd.7b01268
Depositing User: Smith, Ruth
Date Deposited: 26 Feb 2018 13:40
Last Modified: 26 Feb 2018 13:43

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