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Complex dynamics of proton and deuteron transfer in double hydrogen bond of benzoic acid isotopes |
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| Authors: | L. Latanowicz, E.C. Reynhardt,J. Boguszy&#x ska |
| Affiliation: | aInstitute of Biotechnology and Environmental Sciences, University of Zielona Góra, Monte Cassino 21 B, 65 561 Zielona Góra, Poland bDepartment of Physics, University of South Africa, P.O. Box 392, Pretoria 0003, South Africa cInstitute of Molecular Physics, PAN, Smoluchowskiego 17, 60 179, Poland |
| Abstract: | This paper deals with spin-lattice relaxation due to classical jumps and incoherent tunnelling of protons and deuterons in hydrogen bonds in solids. An analysis of experimental spin-lattice relaxation data for carboxylic acids suggests that tunnelling does not contribute to spin-lattice relaxation above the temperature at which the thermal energy of molecules and the potential barrier height are equal. It is also shown that contributions to the spin-lattice relaxation rate due to classical motion and incoherent tunnelling in excited vibrational states are negligible for fast proton transfer. However, for deuterons this contribution to spin-lattice relaxation is significant. |
| Keywords: | Proton and deuteron NMR relaxation Molecular modelling Complex molecular motion Hydrogen bond Incoherent tunnelling |
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