کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1192121 | 1492253 | 2015 | 8 صفحه PDF | دانلود رایگان |
• Addition product C4H7Cl is observed as well as abstraction products C4H7 and C4H6.
• Possible addition and abstraction channels are performed at MP2/aug-cc-pvtz level.
• C4H7Cl is established via Cl reaction with the forming chlorobutyl compounds.
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.
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Journal: International Journal of Mass Spectrometry - Volume 375, 1 January 2015, Pages 1–8