標題: Infrared absorption of CH3SO2 detected with time-resolved Fourier-transform spectroscopy
作者: Chu, LK
Lee, YP
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-Jun-2006
摘要: A step-scan Fourier-transform spectrometer coupled with a 6.4 m multipass absorption cell was employed to detect time-resolved infrared absorption spectra of the reaction intermediate CH3SO2 radical, produced upon irradiation of a flowing gaseous mixture of CH3I and SO2 in CO2 at 248 nm. Two transient bands with origins at 1280 and 1076 cm(-1) were observed and are assigned to the SO2-antisymmetric and SO2-symmetric stretching modes of CH3SO2, respectively. Calculations with density-functional theory (B3LYP/aug-cc-pVTZ and B3P86/aug-cc-pVTZ) predicted the geometry, vibrational, and rotational parameters of CH3SO2 and CH3OSO. Based on predicted rotational parameters, the simulated absorption band of the SO2-antisymmetric stretching mode that is dominated by the b-type rotational structure agrees satisfactorily with experimental results. In addition, a band near 1159 cm(-1) observed at a later period is tentatively attributed to CH3SO2I. The reaction kinetics of CH3+SO2 -> CH3SO2 and CH3SO2+I -> CH3SO2I based on the rise and decay of absorption bands of CH3SO2 and CH3SO2I agree satisfactorily with previous reports. (c) 2006 American Institute of Physics.
URI: http://dx.doi.org/10.1063/1.2211610
http://hdl.handle.net/11536/12125
ISSN: 0021-9606
DOI: 10.1063/1.2211610
期刊: JOURNAL OF CHEMICAL PHYSICS
Volume: 124
Issue: 24
結束頁: 
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