Correct Interpretation of How Tunneling Proceeds at Low Temperatures in the Proton Transfer Reactions Involving Thiotropolone: A Comment
| Title: | Correct Interpretation of How Tunneling Proceeds at Low Temperatures in the Proton Transfer Reactions Involving Thiotropolone: A Comment
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| Author: | Fernández-Ramos, Antonio
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| Affiliation: | Universidade de Santiago de Compostela. Centro de Investigación en Química Biolóxica e Materiais Moleculares
Universidade de Santiago de Compostela. Departamento de Química Física
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| Subject: | Chemical reaction dynamics | Density functional calculations | Keto–enol tautomerism | Quantum tunneling | |
| Date of Issue: | 2013-07-05
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| Publisher: | Wiley
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| Citation: | Fernández-Ramos, A. (2013). Correct Interpretation of How Tunneling Proceeds at Low Temperatures in the Proton Transfer Reactions Involving Thiotropolone: A Comment. Angewandte Chemie International Edition, 52(32), 8204-8205. doi: 10.1002/anie.201303206
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| Abstract: | The correct interpretation is provided of how tunneling proceeds at low temperatures in the proton transfer Reactions (1) and (3) involving thiotropolone and tropolone (see the Arrhenius plots). It is also shown that the variational transition‐state theory calculations carried out by Jose and Datta (Angew. Chem. 2012, 124, 9523; Angew. Chem. Int. Ed. 2012, 51, 9389), as well as their conclusions regarding these two processes are erroneous |
| Description: | This is the peer reviewed version of the following article: Fernández-Ramos, A. (2013). Correct Interpretation of How Tunneling Proceeds at Low Temperatures in the Proton Transfer Reactions Involving Thiotropolone: A Comment. Angewandte Chemie International Edition, 52(32), 8204-8205. doi: 10.1002/anie.201303206, which has been published in final form at https://doi.org/10.1002/anie.201303206. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions
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| Publisher version: | https://doi.org/10.1002/anie.201303206 |
| URI: | http://hdl.handle.net/10347/16856
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| DOI: | 10.1002/anie.201303206 |
| ISSN: | 1433-7851
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| E-ISSN: | 1521-3773
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| Rights: | Copyright © 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
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