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NQR application to the study of hydrogen dynamics in hydrogen-bonded molecular dimers

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Abstract

The temperature dependences of 1H NMR as well as 35Cl NQR spin-lattice relaxation times T 1 were investigated in order to study the hydrogen transfer dynamics in carboxylic acid dimers in 3,5-dichloro- and 2,6-dichlorobenzoic acids. The asymmetry energy A/ k B and the activation energy V/ k B for the hydrogen transfer were estimated to be 240 K and 900 K, and 840 K and 2500 K, respectively, for these compounds. In spite of a large asymmetric potential the quantum nature of hydrogen transfer is recognized in the slope of the temperature dependence of T 1 on the low-temperature side of the T 1 minimum. The NQR T 1 measurements was revealed to be a good probe for the hydrogen transfer dynamics.

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Authors and Affiliations

  1. Department of Chemistry, College of Humanities and Sciences, Nihon University, 3-25-40 Sakurajosui, Setagaya-ku, Tokyo, 156-8550, Japan

    Tetsuo Asaji

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  1. Tetsuo Asaji
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Correspondence to Tetsuo Asaji.

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This article is part of the Topical Collection on Proceedings of the International Conference on Hyperfine Interactions and their Applications (HYPERFINE 2016), Leuven, Belgium, 3-8 July 2016

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Asaji, T. NQR application to the study of hydrogen dynamics in hydrogen-bonded molecular dimers. Hyperfine Interact 237, 102 (2016). https://doi.org/10.1007/s10751-016-1312-7

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  • DOI: https://doi.org/10.1007/s10751-016-1312-7

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