Unusual Structure-Energy Correlations in Intramolecular Diels–Alder Reaction Transition States

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 reacti...

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Bibliographic Details
Main Authors: Justyna M. Żurek, Robert L. Rae, Martin J. Paterson, Magnus W. P. Bebbington
Format: Article
Language:English
Published: MDPI AG 2014-09-01
Series:Molecules
Subjects:
Online Access:http://www.mdpi.com/1420-3049/19/10/15535