title: Combined experimental and theoretical study of the reactivity of γ-Butyro- and related lactones, with the OH radical at room temperature.
abstract: The total rates of reaction between four cyclic esters (β-butyro-, γ-butyro-, γ-valero- and δ-valero-lactones) and the OH radical have been measured relative to the rate of reaction of a reference compound, ethene, at room temperatures. The measurements show that the rates increase with increasing ring size. Theoretical calculations on the four lactones with the inclusion of a fifth, α-methyl-γ-butyrolactone, are broadly in agreement with this picture but provide a more insightful view of the sites at which hydrogen atom abstraction occurs in each molecule.
authors.affiliation: Physikalische Chemie/FBC, Bergische Universität Wuppertal , 42119 Wuppertal, Germany.
authors.forename: Ian
authors.initials: I
authors.lastname: Barnes
authors.forename: Stefan
authors.initials: S
authors.lastname: Kirschbaum
authors.forename: John M
authors.initials: JM
authors.lastname: Simmie