Theoretical study on the effect of solvent and intermolecular fluctuations in proton transfer reactions: General theory
作者:
Nobuhiko Kato,
Tomonori Ida,
Kazunaka Endo,
期刊:
AIP Conference Proceedings
(AIP Available online 1904)
卷期:
Volume 708,
issue 1
页码: 755-756
ISSN:0094-243X
年代: 1904
DOI:10.1063/1.1764291
出版商: AIP
数据来源: AIP
摘要:
We present a theory of proton transfer reactions which incorporate the modulation of the proton’s potential surface by intermolecular vibrations and the effect of coupling to solvent degree of freedom. The proton tunnels between states corresponding to it being localized in the wells of a double minimum potential. The resulting tunnel splitting depends on the intermolecular separation. The solvent response to the proton’s charge is modeled as that of a continuous distribution of harmonic oscillators and the intermolecular stretching mode is also damped because of the interaction with solvent degree of freedom. The transition rate is given by the Fermi Gorlden Rule expression. © 2004 American Institute of Physics
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