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
✦ LIBER ✦
Chemical Involvement of Solvent Water Molecules in Elementary Steps of the Fenton Oxidation Reaction
✍ Scribed by Bernd Ensing; Francesco Buda; Peter Blöchl; Evert J. Baerends
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- English
- Weight
- 77 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0044-8249
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📜 SIMILAR VOLUMES
Chemical Involvement of Solvent Water Mo
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## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
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Two competitive processes -1,3-dipolar cycloaddition and nucleophilic addition -in the reaction of 4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole 3-oxides with asymmetrically substituted alkynes were shown to occur. The influence of solvents and the nature of substituents in the reagent and substrate