Theory of temperature dependence of hydrogen tunneling reactions

Citation
Gk. Ivanov et al., Theory of temperature dependence of hydrogen tunneling reactions, CHEM P LETT, 322(1-2), 2000, pp. 78-82
Citations number
9
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
322
Issue
1-2
Year of publication
2000
Pages
78 - 82
Database
ISI
SICI code
0009-2614(20000512)322:1-2<78:TOTDOH>2.0.ZU;2-Q
Abstract
The different possible mechanisms of the temperature dependence of the tunn elling transition of an atomic particle in solids near absolute zero and th e non-adiabatic effects are determined and considered. The general expressi on for the rate constant is obtained, taking into account the quantum prope rties of hydrogenous crystal. Comparison of the theoretical formula with ex perimental data [3] has permitted the leading mechanism, i.e. medium reorga nization, of temperature dependence to be established. Good agreement has b een achieved between theory and the discussed experimental data at reasonab le values of the system parameters. (C) 2000 Elsevier Science B.V. All righ ts reserved.