Probing the transition state via photoelectron and photodetachment spectroscopy of H(3)O(-).
The H(3)O(-) anion has stable and metastable structures that resemble configurations in the vicinity of the transition state for the neutral reactions OH + H(2) <--> H(2)O + H. Photoelectron spectroscopy of this anion probes the neutral reaction dynamics in the critical transition-state region. Accurate quantum dynamics calculations of the photoelectron intensity and photodissociation product energies are shown to provide a quantitatively reliable means of interpreting such experimental observations and reveal a detailed picture of the reaction dynamics.
Zhang
Dong H
DH
Department of Computational Science, National University of Singapore, Singapore, 119260. zhangdh@cz3.nus.edu.sg
Yang
Minghui
M
Collins
Michael A
MA
Lee
Soo-Y
SY