Reactions of O2+ with OH-isoprene adduct isomers: Exothermicity, product ions, and rate constants
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The chemical ionization mass spectroscopy (CIMS) was employed for the detection of OH-isoprene adduct radicals. The structures and energies of the product ions from the charge transfer reactions of oxygen ion with OH-isoprene adduct radicals were estimated by ab initio calculations. Density functional theory provided the geometry optimizations of the OH-isoprene adduct cations. Ion energies were calculated by the coupled-cluster theory with single and double excitations.
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