Complex dynamics of proton and deuteron transfer in double hydrogen bond of benzoic acid isotopes

Autor:	L. Latanowicz, J. Boguszyńska, E.C. Reynhardt
Rok vydání:	2004
Předmět:	Proton Chemistry Hydrogen bond High Energy Physics::Lattice Condensed Matter Physics Biochemistry Molecular physics chemistry.chemical_compound Deuterium Excited state Relaxation (physics) Molecule Physical and Theoretical Chemistry Atomic physics Quantum tunnelling Benzoic acid
Zdroj:	Journal of Molecular Structure: THEOCHEM. 710:111-117
ISSN:	0166-1280
DOI:	10.1016/j.theochem.2004.08.035
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::d0e894463205220dfa982ac6e0156bc6 https://doi.org/10.1016/j.theochem.2004.08.035 Zobrazit plný text záznamu Full Text from ScienceDirect