The interplay between conformation and absolute configuration in chiral electron dynamics of small diols

Daly, Stephen, Tia, Maurice, Garcia, Gustavo A., Nahon, Laurent and Powis, Ivan (2016) The interplay between conformation and absolute configuration in chiral electron dynamics of small diols. Angewandte Chemie International Edition . ISSN 1433-7851

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A competition between chiral characteristics alternatively attributable to either conformation or to absolute configuration is identified. Circular dichroism associated with photoexcitation of the outer orbital of configurational enantiomers of 1,3- and 2,3-butanediols has been examined with a focus on the large changes in electron chiral asymmetry produced by different molecular conformations. Experimental gas phase measurements offer support for the theoretical modelling of this chiroptical effect. A surprising prediction is that a conformationally produced pseudoenantiomerism in 1,3-butanediol generates a chiral response in the frontier electron dynamics that effectively outweighs the influence of the permanent configurational handedness established at the asymmetrically substituted carbon. Induced conformation, and specifically induced conformational chirality, may thus be a dominating factor in chiral molecular recognition in such systems.

Item Type: Article
Additional Information: This is the peer reviewed version of the following article: Daly, S., Tia, M., Garcia, G. A., Nahon, L. and Powis, I. (2016), The Interplay Between Conformation and Absolute Configuration in Chiral Electron Dynamics of Small Diols. Angew. Chem. Int. Ed.. doi:10.1002/anie.201603771, which has been published in final form at This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
Schools/Departments: University of Nottingham, UK > Faculty of Science > School of Chemistry
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Depositing User: Bramwell, Roseanna
Date Deposited: 08 Aug 2016 09:50
Last Modified: 04 May 2020 18:00

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