Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 18, Issue 46, Pages 14680-14688Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201202342
Keywords
chirality transfer; circular dichroism; hydrophobic interactions; metadynamics; self-assembly
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In this work a combined theoretical and experimental approach was used to elucidate and describe at the molecular level the basic interactions that drive the transfer of the chiral information from chiral surfactant molecules to dye/surfactant assemblies. It was found that both hydrophobic interactions and relative concentrations strongly influence the chiroptical features of the heteroaggregates. In particular it was observed that, depending on the length of the surfactant hydrophobic chain, the chiral information is transferred to the dye by stabilizing an enantiomer either of a chiral conformer or of a chiral topological arrangement. These findings underline the role of hydrophobic interactions in the transfer of chirality and provide an example of the potential of in silico simulations for providing an accurate description of the process of chirality propagation.
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