The Struggle for Precise Rate Constants in Gas Phase Reaction Kinetics: The Reaction H + O2 ⇔ HO + O
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Jürgen Troe
Abstract
A short sketch of the history over the last 100 years of the H2–O2-system in general and of the H + O2 ⇔ HO + O reaction in particular is given. Only after revision of the enthalpy of formation of OH in the year 2000, experimental and theoretical rate constant determinations approach an agreement within about 10 percent. Further improvements of the modeling depend on more precise thermochemical data for the reaction and on a detailed analysis of the contributions from all electronic states arising from the four open electronic shell species involved. Vibrational zeropoint energy problems of OH in classical trajectory calculations and detailed angular momentum couplings in adiabatic channel treatments have also to be mastered.
© 2003 Oldenbourg Wissenschaftsverlag GmbH
Artikel in diesem Heft
- Katalyse: Vom Stein der Weisen zu Wilhelm Ostwald
- Pressure Perturbation Calorimetic Studies of the Solvation Properties and the Thermal Unfolding of Proteins in Solution
- From Ostwald′s Times to Solid State Ionics: Migration and Localised Hopping of Silver Ions in Crystalline Rubidium Silver Iodide
- Physical Electrochemistry: Recent Developments
- On the Equilibration of Solid Phases. Some Thoughts on Ostwalds Contributions
- The Struggle for Precise Rate Constants in Gas Phase Reaction Kinetics: The Reaction H + O2 ⇔ HO + O
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Artikel in diesem Heft
- Katalyse: Vom Stein der Weisen zu Wilhelm Ostwald
- Pressure Perturbation Calorimetic Studies of the Solvation Properties and the Thermal Unfolding of Proteins in Solution
- From Ostwald′s Times to Solid State Ionics: Migration and Localised Hopping of Silver Ions in Crystalline Rubidium Silver Iodide
- Physical Electrochemistry: Recent Developments
- On the Equilibration of Solid Phases. Some Thoughts on Ostwalds Contributions
- The Struggle for Precise Rate Constants in Gas Phase Reaction Kinetics: The Reaction H + O2 ⇔ HO + O
- The Chemisorption of 2,3-Dimercapto-n-Propane Sulfonate at the Au(111)-Electrode
