Staff Publications

Staff Publications

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    'Staff publications' is the digital repository of Wageningen University & Research

    'Staff publications' contains references to publications authored by Wageningen University staff from 1976 onward.

    Publications authored by the staff of the Research Institutes are available from 1995 onwards.

    Full text documents are added when available. The database is updated daily and currently holds about 240,000 items, of which 72,000 in open access.

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Record number 507774
Title Quantification of Stereochemical Communication in Metal–Organic Assemblies
Author(s) Castilla, Ana M.; Miller, Mark A.; Nitschke, Jonathan R.; Smulders, Maarten M.J.
Source Angewandte Chemie-International Edition 55 (2016)36. - ISSN 1433-7851 - p. 10616 - 10620.
DOI http://dx.doi.org/10.1002/anie.201602968
Department(s) Laboratory for Organic Chemistry
VLAG
Publication type Refereed Article in a scientific journal
Publication year 2016
Keyword(s) cage compounds - diastereoselectivity - statistical mechanics - stereochemical communication - supramolecular chemistry
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.

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