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Quantification of Stereochemical Communication in Metal–Organic Assemblies

Castilla, A.M.; Miller, M.A.; Nitschke, J.R.; Smulders, M.M.J.

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Authors

A.M. Castilla

J.R. Nitschke

M.M.J. Smulders



Abstract

The derivation and application of a statistical mechanical model to quantify stereochemical communication in metal–organic assemblies is reported. The factors affecting the stereochemical communication within and between the metal stereocenters of the assemblies were experimentally studied by optical spectroscopy and analyzed in terms of a free energy penalty per “incorrect” amine enantiomer incorporated, and a free energy of coupling between stereocenters. These intra- and inter-vertex coupling constants are used to track the degree of stereochemical communication across a range of metal–organic assemblies (employing different ligands, peripheral amines, and metals); temperature-dependent equilibria between diastereomeric cages are also quantified. The model thus provides a unified understanding of the factors that shape the chirotopic void spaces enclosed by metal–organic container molecules.

Citation

Castilla, A., Miller, M., Nitschke, J., & Smulders, M. (2016). Quantification of Stereochemical Communication in Metal–Organic Assemblies. Angewandte Chemie International Edition, 55(36), 10616-10620. https://doi.org/10.1002/anie.201602968

Journal Article Type Article
Acceptance Date May 3, 2016
Online Publication Date Jun 2, 2016
Publication Date Aug 1, 2016
Deposit Date Jul 12, 2016
Publicly Available Date Mar 28, 2024
Journal Angewandte Chemie International Edition
Print ISSN 1433-7851
Electronic ISSN 1521-3773
Publisher Wiley
Peer Reviewed Peer Reviewed
Volume 55
Issue 36
Pages 10616-10620
DOI https://doi.org/10.1002/anie.201602968

Files

Published Journal Article (Advance online version) (1.5 Mb)
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Publisher Licence URL
http://creativecommons.org/licenses/by/4.0/

Copyright Statement
Advance online version © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.






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