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- W2037358188 abstract "The reactions of the Cl radical with 1-butene and isobutene have been studied in a flow tube by utilizing photoionization mass spectrometry at the energy range of 9–11 eV. The addition C4H7Cl and abstraction C4H7 and C4H6 products were observed in the mass spectra. The experimental ionization energies for C4H7Cl from 1-butene and isobutene were determined to be 9.58 ± 0.10 and 9.56 ± 0.10 eV, respectively, consistent with ionization energies of the likely isomers at the MP2/aug-cc-pvtz level. In addition, possible addition and abstraction channels were performed at the MP2/aug-cc-pvtz level. Two addition channels for 1-butene and one for isobutene proceeded via the addition of Cl to the unsaturated bond of the butenes and then led to the chlorobutyl radicals. One abstraction channel for 1-butene and isobutene was identified to be viable, respectively. The observed addition products were established via the secondary reactions of Cl with the forming chlorobutyl compounds." @default.
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- W2037358188 date "2015-01-01" @default.
- W2037358188 modified "2023-10-17" @default.
- W2037358188 title "Investigation on addition and abstraction channels in Cl reactions with 1-butene and isobutene" @default.
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- W2037358188 doi "https://doi.org/10.1016/j.ijms.2014.08.036" @default.
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