The spontaneous formation of the contested ferryl ion is evident in ab initio molecular dynamics calculations on the Fe /H O system in aqueous solution (Fenton reagents). Not only is the ferryl ion preferred over the hydroxyl radical as the active oxidative species, but the solvent water molecules p
On the sequence of elementary steps in gas phase hydrocarbon oxidation
✍ Scribed by M.B. Neiman; D. Gál
- Publisher
- Elsevier Science
- Year
- 1968
- Tongue
- English
- Weight
- 627 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0010-2180
No coin nor oath required. For personal study only.
✦ Synopsis
It is postulated that application of the Kinetic Isotope Method makes possible the simultaneous use of analytical determination ofin~:erme~liates and end products together with a study of elementary reaction steps independently of the overall reaction in artificial mixtures--A summary of basic concepts and equations is included. The competiton between the formation of carbon monoxide and of carbon dioxide is also discussed.
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## Dedicated to Professor Werner Schroth on the occasion of his 70th birthday FeNH is chosen as a model system to probe the transition-metal-mediated transfer of imine groups in the gas phase by mass-spectrometric means. Ab initio calculations at the MR-ACPF level predict FeNH to have a linear sex