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Updated: Apr 23, 2026

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals
Published on: May 29, 2018
Unusual structure-energy correlations in intramolecular Diels-Alder reaction transition states
Justyna M Zurek1, Robert L Rae1, Martin J Paterson2
1Institute of Chemical Science, School of Engineering and Physical Sciences, William Perkin building, Heriot-Watt University, Edinburgh EH14 4AS, UK.
Abstract:
Detailed analysis of calculated data from an experimental/computational study of intramolecular furan Diels-Alder reactions has led to the unusual discovery that the mean contraction of the newly forming C-C σ-bonds from the transition state to the product shows a linear correlation with both reaction Gibbs free energies and reverse energy barriers. There is evidence for a similar correlation in other intramolecular Diels-Alder reactions involving non-aromatic dienes. No such correlation is found for intermolecular Diels-Alder reactions.
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