Methyl Group Rotation Driven by Proton Transfer through a Long-Range Chemical Interaction

Coupling drives the rotation: A theoretical study of proton-transfer dynamics of 5-methyltropolone (5MTR) has identified a long-range mechanical interaction. Methyl group rotation can be driven by proton transfer because of coupling between hyperconjugation and tautomerization within 5MTR (see HOMO–LUMO interaction). A quantum-mechanical mechanism is presented in which this molecule undergoes a conformational change. Supporting information for this article is available on the WWW under http://www.angewandte.org or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.