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 language | English (US) |
|---|---|
| Pages (from-to) | 7755-7760 |
| Number of pages | 6 |
| Journal | The Journal of Chemical Physics |
| Volume | 120 |
| Issue number | 16 |
| DOIs | |
| State | Published - Apr 22 2004 |
| Externally published | Yes |
Fingerprint
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 journal › Article
}
TY - JOUR
T1 - Rate-promoting vibrations and coupled hydrogen-electron transfer reactions in the condensed phase
T2 - A model for enzymatic catalysis
AU - Mincer, Joshua S.
AU - Schwartz, Steven D
PY - 2004/4/22
Y1 - 2004/4/22
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=2342448523&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=2342448523&partnerID=8YFLogxK
U2 - 10.1063/1.1690239
DO - 10.1063/1.1690239
M3 - Article
C2 - 15267689
AN - SCOPUS:2342448523
VL - 120
SP - 7755
EP - 7760
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 16
ER -