Rate-promoting vibrations and coupled hydrogen-electron transfer reactions in the condensed phase: A model for enzymatic catalysis

Joshua S. Mincer, Steven D Schwartz

Research output: Contribution to journalArticle

53 Citations (Scopus)

Abstract

A model is proposed for coupled hydrogen-electron transfer reactions in condensed phase in the presence of a promoting vibration. The model is an extension of an earlier model, which modulates the potential the hydrogen atom experiences as it is transferred. Large kinetic isotope effects (KIE) were found when the hydrogen is substituted with deutrium. The results show that a large, temperature-independent KIE is compatible with a tunneling reaction assisted by a promoting vibration.

Original languageEnglish (US)
Pages (from-to)7755-7760
Number of pages6
JournalThe Journal of Chemical Physics
Volume120
Issue number16
DOIs
StatePublished - Apr 22 2004
Externally publishedYes

Fingerprint

Catalysis
catalysis
Hydrogen
electron transfer
Isotopes
vibration
isotope effect
Electrons
hydrogen
Kinetics
kinetics
hydrogen atoms
Atoms
Temperature
temperature

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Rate-promoting vibrations and coupled hydrogen-electron transfer reactions in the condensed phase : A model for enzymatic catalysis. / Mincer, Joshua S.; Schwartz, Steven D.

In: The Journal of Chemical Physics, Vol. 120, No. 16, 22.04.2004, p. 7755-7760.

Research output: Contribution to journalArticle

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