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 Title: To Tunnel Or Not To Tunnel, Proton Transfer Is The Question. Author(s): Chew, Kathryn Contributor(s): Vaccaro, Patrick; Nemchick, Deacon Subject(s): Mini-symposium: Spectroscopy in Kinetics and Dynamics Abstract: The transduction of protons between donor and acceptor sites, as mediated by the action of adjoining hydrogen bonds, represents one of the most ubiquitous of chemical transformations. While the basic mechanisms underlying such phenomena often can be ascribed to simple acid-base chemistry, the putative roles of selective nuclear and electronic displacements should not be discounted, especially when the presence of a sizeable potential barrier impedes classical hydron-migration pathways. The vibrational and isotopic specificity of hindered intramolecular proton transfer taking place within the ground (\textit{\~{X}$^{1}$}{A}$_{1}$) and the lowest-lying excited (\textit{\~{A}$^{1}$}B$_{2}$ ($\pi ^{*}\pi$) electronic states of the prototypical tropolone (TrOH) system has been probed by implementing multiple-color variants of resonant four-wave mixing (RFWM) spectroscopy, with polarization-resolved detection allowing for the extraction of quantitative rotation-tunneling information. The marked dependence of unimolecular dynamics on the extent and the type of excitation deposited into TrOH internal degrees of freedom will be discussed. Experimentally observed trends and propensities for tunneling-mediated reactivity will be interpreted through use of accompanying quantum-chemical calculations. Issue Date: 2014-06-18 Publisher: International Symposium on Molecular Spectroscopy Citation Info: Chew, K.; Vaccaro, P.; Nemchick, D. TO TUNNEL OR NOT TO TUNNEL, PROTON TRANSFER IS THE QUESTION.. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/51007 Rights Information: Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/ Date Available in IDEALS: 2014-09-17
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