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dc.contributor.authorHaupa, Karolina Annaen_US
dc.contributor.authorLim, Manhoen_US
dc.contributor.authorLee, Yuan-Pernen_US
dc.date.accessioned2018-08-21T05:53:38Z-
dc.date.available2018-08-21T05:53:38Z-
dc.date.issued2018-05-14en_US
dc.identifier.issn1463-9076en_US
dc.identifier.urihttp://dx.doi.org/10.1039/c8cp00739jen_US
dc.identifier.urihttp://hdl.handle.net/11536/144963-
dc.description.abstractThe 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.en_US
dc.language.isoen_USen_US
dc.titlePhotodissociation of CF2ICF2I in solid para-hydrogen: infrared spectra of anti- and gauche-(C2F4I)-C-center dot radicalsen_US
dc.typeArticleen_US
dc.identifier.doi10.1039/c8cp00739jen_US
dc.identifier.journalPHYSICAL CHEMISTRY CHEMICAL PHYSICSen_US
dc.citation.volume20en_US
dc.citation.spage12650en_US
dc.citation.epage12658en_US
dc.contributor.department應用化學系zh_TW
dc.contributor.department應用化學系分子科學碩博班zh_TW
dc.contributor.departmentDepartment of Applied Chemistryen_US
dc.contributor.departmentInstitute of Molecular scienceen_US
dc.identifier.wosnumberWOS:000431825300032en_US
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