Issue 16, 2017

Topological landscapes of porous organic cages


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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Article information

Article type
30 Jan 2017
10 Mar 2017
First published
16 Mar 2017
This article is Open Access
Creative Commons BY license

Nanoscale, 2017,9, 5280-5298

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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