title: Infrared absorption of gaseous ClCS detected with time-resolved Fourier-transform spectroscopy.
abstract: A transient infrared absorption spectrum of gaseous ClCS was detected with a step-scan Fourier-transform spectrometer coupled with a multipass absorption cell. ClCS was produced upon irradiating a flowing mixture of Cl2CS and N2 or CO2 with a KrF excimer laser at 248 nm. A transient band in the region of 1160-1220 cm-1, which diminished on prolonged reaction, is assigned to the C-S stretching (nu1) mode of ClCS. Calculations with density-functional theory (B3P86 and B3LYP/aug-cc-pVTZ) predict the geometry, vibrational wave numbers, and rotational parameters of ClCS. The rotational contour of the spectrum of ClCS simulated based on predicted rotational parameters agrees satisfactorily with experimental observation; from spectral simulation, the band origin is determined to be at 1194.4 cm-1. Reaction kinetics involving ClCS, CS, and CS2 are discussed.
authors.affiliation: Department of Applied Chemistry, National Chiao Tung University, 1001 Ta-Hsueh Road, Hsinchu 30010, Taiwan.
authors.forename: Li-Kang
authors.initials: LK
authors.lastname: Chu
authors.forename: Hui-Ling
authors.initials: HL
authors.lastname: Han
authors.forename: Yuan-Pern
authors.initials: YP
authors.lastname: Lee