Imperial College London
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ProfessorKimJelfs

Faculty of Natural Sciences, Department of Chemistry

Professor in Computational Materials Chemistry
 
 
 
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Contact

 

+44 (0)20 7594 3438k.jelfs Website

 
 
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Location

 

207AMolecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Citation

BibTex format

@article{Abet:2020:10.1002/ange.202007571,
author = {Abet, V and Szczypiski, FT and Little, MA and Santolini, V and Jones, CD and Evans, R and Wilson, C and Wu, X and Thorne, MF and Bennison, MJ and Cui, P and Cooper, AI and Jelfs, KE and Slater, AG},
doi = {10.1002/ange.202007571},
journal = {Angewandte Chemie},
pages = {16898--16906},
title = {Inducing Social Self-Sorting in Organic Cages To Tune The Shape of The Internal Cavity},
url = {http://dx.doi.org/10.1002/ange.202007571},
volume = {132},
year = {2020}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - © 2020 The Authors. Published by Wiley-VCH Verlag GmbH  &  Co. KGaA Many interesting target guest molecules have low symmetry, yet most methods for synthesising hosts result in highly symmetrical capsules. Methods of generating lower symmetry pores are thus required to maximise the binding affinity in host–guest complexes. Herein, we use mixtures of tetraaldehyde building blocks with cyclohexanediamine to access low-symmetry imine cages. Whether a low-energy cage is isolated can be correctly predicted from the thermodynamic preference observed in computational models. The stability of the observed structures depends on the geometrical match of the aldehyde building blocks. One bent aldehyde stands out as unable to assemble into high-symmetry cages-and the same aldehyde generates low-symmetry socially self-sorted cages when combined with a linear aldehyde. We exploit this finding to synthesise a family of low-symmetry cages containing heteroatoms, illustrating that pores of varying geometries and surface chemistries may be reliably accessed through computational prediction and self-sorting.
AU  - Abet,V
AU  - Szczypiski,FT
AU  - Little,MA
AU  - Santolini,V
AU  - Jones,CD
AU  - Evans,R
AU  - Wilson,C
AU  - Wu,X
AU  - Thorne,MF
AU  - Bennison,MJ
AU  - Cui,P
AU  - Cooper,AI
AU  - Jelfs,KE
AU  - Slater,AG
DO  - 10.1002/ange.202007571
EP  - 16906
PY  - 2020///
SN  - 0044-8249
SP  - 16898
TI  - Inducing Social Self-Sorting in Organic Cages To Tune The Shape of The Internal Cavity
T2  - Angewandte Chemie
UR  - http://dx.doi.org/10.1002/ange.202007571
VL  - 132
ER  -
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