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{Pugh:2018:10.1021/acs.cgd.7b01422,
author = {Pugh, CJ and Santolini, V and Greenaway, RL and Little, MA and Briggs, ME and Jelfs, KE and Cooper, A},
doi = {10.1021/acs.cgd.7b01422},
journal = {Crystal Growth and Design},
pages = {2759--2764},
title = {Cage doubling: solvent-mediated re-equilibration of a [3+6] prismatic organic cage to a large [6+12] truncated tetrahedron},
url = {http://dx.doi.org/10.1021/acs.cgd.7b01422},
volume = {18},
year = {2018}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - We show that a [3 + 6] trigonal prismatic imine (a) cage can rearrange stoichiometrically and structurally to form a [6 + 12] cage (b) with a truncated tetrahedral shape. Molecular simulations rationalize why this rearrangement was only observed for the prismatic [3 + 6] cage TCC1 but not for the analogous [3 + 6] cages, TCC2 and TCC3. Solvent was found to be a dominant factor in driving this rearrangement.
AU  - Pugh,CJ
AU  - Santolini,V
AU  - Greenaway,RL
AU  - Little,MA
AU  - Briggs,ME
AU  - Jelfs,KE
AU  - Cooper,A
DO  - 10.1021/acs.cgd.7b01422
EP  - 2764
PY  - 2018///
SN  - 1528-7483
SP  - 2759
TI  - Cage doubling: solvent-mediated re-equilibration of a [3+6] prismatic organic cage to a large [6+12] truncated tetrahedron
T2  - Crystal Growth and Design
UR  - http://dx.doi.org/10.1021/acs.cgd.7b01422
UR  - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000431599100014&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR  - http://hdl.handle.net/10044/1/78700
VL  - 18
ER  -
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