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Issue 16, 2017
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Topological landscapes of porous organic cages

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Abstract

We define a nomenclature for the classification of porous organic cage molecules, enumerating the 20 most probable topologies, 12 of which have been synthetically realised to date. We then discuss the computational challenges encountered when trying to predict the most likely topological outcomes from dynamic covalent chemistry (DCC) reactions of organic building blocks. This allows us to explore the extent to which comparing the internal energies of possible reaction outcomes is successful in predicting the topology for a series of 10 different building block combinations.

Graphical abstract: Topological landscapes of porous organic cages

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Publication details

The article was received on 30 Jan 2017, accepted on 10 Mar 2017 and first published on 16 Mar 2017


Article type: Paper
DOI: 10.1039/C7NR00703E
Citation: Nanoscale, 2017,9, 5280-5298
  • Open access: Creative Commons BY license
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    Topological landscapes of porous organic cages

    V. Santolini, M. Miklitz, E. Berardo and K. E. Jelfs, Nanoscale, 2017, 9, 5280
    DOI: 10.1039/C7NR00703E

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