標題: Photodissociation of CF2ICF2I in solid para-hydrogen: infrared spectra of anti- and gauche-(C2F4I)-C-center dot radicals
作者: Haupa, Karolina Anna
Lim, Manho
Lee, Yuan-Pern
應用化學系
應用化學系分子科學碩博班
Department of Applied Chemistry
Institute of Molecular science
公開日期: 14-May-2018
摘要: The photolysis of 1,2-diiodotetrafluoroethane (CF2ICF2I) has served as a prototypical system in ultrafast reaction dynamics. Even though the intermediates, anti-and gauche-iodotetrafluoroethyl ((C2F4I)-C-center dot) radicals, have been characterized with electron diffraction and X-ray diffraction, their infrared spectra are unreported. We report the formation and infrared identification of these radical intermediates upon ultraviolet photodissociation of CF2ICF2I in solid para-hydrogen (p-H-2) at 3.3 K. Lines at 1364.9/1358.5, 1283.2, 1177.1, 1162.2, 1126.8, 837.3, 658.0, 574.2, and 555.2 cm(-1) are assigned to anti-(C2F4I)-C-center dot, and lines at 1325.9, 1259.7, 1143.4, 1063.4, 921.0, and 765.3 cm(-1) to gauche-(C2F4I)-C-center dot. A secondary photodissociation leading to C2F4 was also observed. The assignments were derived according to behavior on secondary photolysis, comparison of the vibrational wavenumbers and the IR intensities of the observed lines with values predicted with the B3PW91/aug-cc-pVTZ-pp method. This spectral identification provides valuable information for future direct spectral probes of these important intermediates.
URI: http://dx.doi.org/10.1039/c8cp00739j
http://hdl.handle.net/11536/144963
ISSN: 1463-9076
DOI: 10.1039/c8cp00739j
期刊: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume: 20
起始頁: 12650
結束頁: 12658
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