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Tunneling governs intramolecular proton transfer in thiotropolone at room temperature |
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| Authors: | Deepthi Jose Ayan Datta |
| Affiliation: | School of Chemistry, Indian Institute of Science Education and Research, Thiruvananthapuram, Kerala-695016 (India). |
| Abstract: | Successfully tunneled: The rapid and temperature-independent intramolecular proton transfer in thiotropolone occurs entirely through quantum mechanical tunneling. For tropolone, tunneling across a smaller yet broader barrier leads to a slower rate of proton transfer for temperatures smaller than 240?K. |
| Keywords: | chemical reaction dynamics density functional calculations keto–enol tautomerism kinetic isotope effects quantum tunneling |
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