Self-association and self-assembly of molecular clips in solution and in the solid state |
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| Authors: | Joost N.H Reek,Johannes A.A.W Elemans,René de GelderPaul T Beurskens,Alan E Rowan,Roeland J.M Nolte |
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| Affiliation: | a Department of Organic Chemistry, NSRIM, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, The Netherlands
b Crystallography Laboratory, Department of Inorganic Chemistry, NSRIM, University of Nijmegen, The Netherlands |
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| Abstract: | Clip molecules based on diphenylglycoluril form well-defined dimeric structures in chloroform solution and in the solid state. In solution the dimerization process is based on favourable π-π interactions and cavity filling effects. A combination of favourable π-π interactions and crystal packing forces determine the self-assembly of clips in the solid state. The geometry that the clip molecules adopt in solution and in a series of X-ray crystal structures is compared with favourable geometries predicted by molecular modelling calculations. |
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| Keywords: | crystal engineering π-π interactions receptors molecular modelling |
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