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Guest Controlled Packing in Inclusion Compounds

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Abstract

The structures of 9-(2,4,6-trimethylphenyl)-9H-xanthen-9-ol (the host, H) and its inclusion compounds with benzene (BZ), bromobenzene (BrBZ) and dimethyl sulfoxide (DMSO) were elucidated. The packing interactions correlated with results of their thermal stabilities, kinetics of desorption and rate of guest exchange. The kinetics of desorption of H·DMSO resulted in an activation energy of 35(1) kJ mol−1. A guest exchange experiment was carried out whereby H·DMSO converted to H·1.5BZ.

Graphical Abstract

An attempt of structure prediction where the templating effect of the solvent leads to surprising results. The packings were inspected and correlated with results of the thermal stabilities, kinetics of desorption and rate of guest exchange.

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Acknowledgments

We thank the National Research Fundation (NRF, Pretoria) and the University of Cape Town for the funding.

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Authors and Affiliations

  1. Department of Chemistry, University of Cape Town, P.D. Hahn Building, Rondebosch, 7701, South Africa

    Gaëlle Ramon & Luigi R. Nassimbeni

  2. Sasol Technologies R&D, Klasie Havenga Road 1, Sasolburg, 1947, South Africa

    Jana H. Taljaard

Authors
  1. Gaëlle Ramon
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  2. Luigi R. Nassimbeni
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  3. Jana H. Taljaard
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Correspondence to Gaëlle Ramon.

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Ramon, G., Nassimbeni, L.R. & Taljaard, J.H. Guest Controlled Packing in Inclusion Compounds. J Chem Crystallogr 42, 1014–1021 (2012). https://doi.org/10.1007/s10870-012-0350-5

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  • DOI: https://doi.org/10.1007/s10870-012-0350-5

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