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NQR application to the study of hydrogen dynamics in hydrogen-bonded molecular dimers
Authors:Tetsuo?Asaji  author-information"  >  author-information__contact u-icon-before"  >  mailto:asaji@chs.nihon-u.ac.jp"   title="  asaji@chs.nihon-u.ac.jp"   itemprop="  email"   data-track="  click"   data-track-action="  Email author"   data-track-label="  "  >Email author  author-information__orcid u-icon-before icon--orcid u-icon-no-repeat"  >  http://orcid.org/---"   itemprop="  url"   title="  View OrcID profile"   target="  _blank"   rel="  noopener"   data-track="  click"   data-track-action="  OrcID"   data-track-label="  "  >View author&#  s OrcID profile
Affiliation:1.Department of Chemistry, College of Humanities and Sciences,Nihon University,Tokyo,Japan
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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