SEARCH

SEARCH BY CITATION

Keywords:

  • chemical reaction dynamics;
  • density functional calculations;
  • keto–enol tautomerism;
  • kinetic isotope effects;
  • quantum tunneling
Thumbnail image of graphical abstract

Successfully tunneled: The rapid and temperature-independent intramolecular proton transfer in thiotropolone occurs entirely through quantum mechanical tunneling (see picture). For tropolone, tunneling across a smaller yet broader barrier leads to a slower rate of proton transfer for temperatures smaller than 240 K.