標題: Infrared absorption of gaseous CH2BrOO detected with a step-scan Fourier-transform absorption spectrometer
作者: Huang, Yu-Hsuan
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: 28-十月-2014
摘要: CH2BrOO radicals were produced upon irradiation, with an excimer laser at 248 nm, of a flowing mixture of CH2Br2 and O-2. A step-scan Fourier-transform spectrometer coupled with a multipass absorption cell was employed to record temporally resolved infrared (IR) absorption spectra of reaction intermediates. Transient absorption with origins at 1276.1, 1088.3, 961.0, and 884.9 cm (1) are assigned to nu(4) (CH2-wagging), nu(6) (O-O stretching), nu(7) (CH2-rocking mixed with C-O stretching), and nu(8) (C-O stretching mixed with CH2-rocking) modes of syn-CH2BrOO, respectively. The assignments were made according to the expected photochemistry and a comparison of observed vibrational wavenumbers, relative IR intensities, and rotational contours with those predicted with the B3LYP/aug-cc-pVTZ method. The rotational contours of nu(7) and nu(8) indicate that hot bands involving the torsional (nu(12)) mode are also present, with transitions 7(0)(1)12(nu)(nu) and 8(0)(1)12(nu)(nu), nu = 1-10. The most intense band (nu(4)) of anti-CH2BrOO near 1277 cm(-1) might have a small contribution to the observed spectra. Our work provides information for directly probing gaseous CH2BrOO with IR spectroscopy, in either the atmosphere or laboratory experiments. (C) 2014 AIP Publishing LLC.
URI: http://dx.doi.org/10.1063/1.4897982
http://hdl.handle.net/11536/123958
ISSN: 0021-9606
DOI: 10.1063/1.4897982
期刊: JOURNAL OF CHEMICAL PHYSICS
Volume: 141
Issue: 16
顯示於類別:期刊論文


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