title: Solvent polarity affects H atom abstractions from C-H donors.
abstract: Kinetic solvent effects on hydrogen abstractions involving C-H donors (dienes, ethers, alkylbenzenes) have been corroborated by experiment and theory (UB3LYP/6-311++G**, polarized continuum model). To single out the effect of solvent polarity, rate constants for scavenging of the cumyloxyl radical and fluorescence quenching of 2,3-diazabicyclo[2.2.2]oct-2-ene were obtained in binary aprotic mixtures of ethylacetate and acetonitrile. Polar solvents result in a selective stabilization of the reactants (see TOC graphic), which results in slower rate constants.
authors.affiliation: School of Engineering and Science, Jacobs University Bremen, Bremen, Germany.
authors.forename: Hamdy S
authors.initials: HS
authors.lastname: El-Sheshtawy
authors.forename: Uwe
authors.initials: U
authors.lastname: Pischel
authors.forename: Werner M
authors.initials: WM
authors.lastname: Nau