Rate Constants for Hydrogen Abstraction Reactions of the Sulfate Radical, SO4(1-). Experimental and Theoretical Results for Cyclic Ethers

Article abstract of DOI:10.1021/j100176a055

Rate constants have been determined as a function of temperature in aqueous solutions for the reactions of the SO4(1-) radical with the C3 to C6 cyclic monoethers and the diethers 1,4- and 1,3-dioxane.The reactions clearly are grouped into three sets: the C4 and C6 monoethers react the fastest, the C3 and C5 monoethers are slower, and the cyclic diethers are the lowest.Theoretical calculations also have been carried out to estimate the C-H bond strengths in these molecules and these results have been related to the experimental rate constants.