Hydroxylic Solvents as Hydrogen Atom Donors in Radical Reactions

Hydrogen‐transfer reactions between methyl radicals and protic solvents, such as water and ethanol, have been studied at the G3(MP2)‐RAD level of theory. The typically high barriers for hydrogen ion from the OH group are lowered dramatically on complexation of protic solvents with BMe3. The barrier...

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Veröffentlicht in:	European Journal of Organic Chemistry 2007-12, Vol.2007 (35), p.5817-5820
Hauptverfasser:	Tantawy, Waled, Zipse, Hendrik
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio calculations Hydrogen transfer Radical reaction Water
Online-Zugang:	Volltext
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