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The oxidation reaction dynamics of a saturated hydrocarbon radical t-butyl leading to the isobutene +OH (X 2Pi:v"=0, 1, 2) products in the gas phase were first investigated by applying a combination of high-resolution spectroscopy in a crossed-beam configuration and ab initio calculations. By comparing the nascent OH populations with the statistical theory,(More)
We present ab initio calculations of the reaction of ground-state atomic oxygen [O((3)P)] with a propargyl (C(3)H(3)) radical based on the application of the density-functional method and the complete basis-set model. It has been predicted that the barrierless addition of O((3)P) to C(3)H(3) on the lowest doublet potential-energy surface produces several(More)
The radical-radical oxidation reaction, O(3P)+C3H3 (propargyl)-->H(2S)+C3H2O (propynal), was investigated using vacuum-ultraviolet laser-induced fluorescence spectroscopy in a crossed-beam configuration, together with ab initio and statistical calculations. The barrierless addition of O(3P) to C3H3 is calculated to form energy-rich addition complexes on the(More)
The radical-radical reaction dynamics of ground-state atomic oxygen [O(3P)] with t-butyl radicals (t-C4H9) in the gas phase were investigated using high-resolution laser spectroscopy in a crossed-beam configuration, together with ab initio theoretical calculations. The radical reactants, O(3P) and t-C4H9, were produced by the photodissociation of NO2 and(More)
The radical-radical reaction mechanisms and dynamics of ground-state atomic oxygen [O(3P)] with the saturated tert-butyl radical (t-C4H9) are investigated using the density functional method and the complete basis set model. Two distinctive reaction pathways are predicted to be in competition: addition and abstraction. The barrierless addition of O(3P) to(More)
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