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 Title: INFRARED SPECTRUM OF THE 1-IODOPROPYL RADICAL PRODUCED FROM REACTION OF I + PROPENE IN SOLID PARA-HYDROGEN Author(s): Lin, Wei Contributor(s): Lee, Yuan-Pern ; Chen, Yu-Hsuan ; Tsai, Huei-Ru Subject(s): Atmospheric science Abstract: The addition reactions of iodine atom with propene in solid para-hydrogen (p-H$_{2}$) matrices were investigated with infrared (IR) absorption spectroscopy. Mixtures of propene and I$_{2}$ seeded in p-H$_{2}$ were co-deposited at 3.3 K for 7 to 8 hours, followed by irradiations with ultraviolet lights at various wavelengths to study the reaction of I atoms with propene. Quantum chemical calculations were carried out at the B3LYP/aug-cc-pVTZ-pp level in order to determine the relative energies, vibrational wavenumbers and IR intensities of 1-iodopropyl and 2-iodopropyl radicals. The transitions belong to I$_{2}$-propene complex, 1-iodopropyl radical, and the anti conformer of 1,2-diiodopropane were recorded and assigned. The assignments were based on expected reaction, the vibrational wavenumbers and IR intensities from theoretical calculations, and secondary photolysis behavior. The observation of 1-iodopropyl radical, the isomer with the least energy, indicates that the addition of iodine atom occurs at the terminal carbon atom. The role of the p-H$_{2}$ matrices, the difference between this reaction and the previously reported Cl + propene reaction will be discussed. Issue Date: 25-Jun-20 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/107335 Date Available in IDEALS: 2020-06-26
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