Barnes Ian, Kirschbaum Stefan, Simmie John M
Physikalische Chemie/FBC, Bergische Universität Wuppertal , 42119 Wuppertal, Germany.
J Phys Chem A. 2014 Jul 10;118(27):5013-9. doi: 10.1021/jp502489k. Epub 2014 Jun 27.
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.
在室温下，相对于参考化合物乙烯的反应速率，已测定了四种环状酯（β-丁内酯、γ-丁内酯、γ-戊内酯和δ-戊内酯）与羟基自由基之间的总反应速率。测量结果表明，反应速率随环尺寸的增加而增加。对这四种内酯以及第五种内酯α-甲基-γ-丁内酯进行的理论计算与这一情况大致相符，但对每个分子中发生氢原子提取的位点提供了更具洞察力的观点。
