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Updated: Jun 15, 2026
05:51
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Published on: July 19, 2019
Energy landscape of a hydrogen-bonded non-degenerate molecular shuttle
Duygu Deniz Günbaş1, Leszek Zalewski, Albert M Brouwer
1van 't Hoff Institute for Molecular Sciences, Nieuwe Achtergracht 129, 1018 WS, Amsterdam, The Netherlands.
Chemical Communications (Cambridge, England)
|March 12, 2010
Abstract:
In rotaxane 1, two co-conformations are populated in CDCl(3) at temperatures between 250 and 330 K. The thermodynamic parameters show strong enthalpy-entropy compensation, and a non-negligible heat capacity difference between the two forms.
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