FTIR absorption spectra of ClCS in an argon matrix

Matrix Isolation and Cold Diffusion of Mass-Selected CS2•+ in Neon: Infrared Observation of the Asymmetric Stretch of CS2•+ and CS2•-

“…These bands are consistent with previous assignments of the vibrational frequencies of CS in argon matrices and in the gas phase. The vibrational frequency of CS has been reported at 1275.1 and 1272.2 cm -1 in an argon matrix and in the gas phase, respectively. Likewise, the vibrational frequency of 13 CS has been reported at 1239.1 and 1236.3 cm -1 in an argon matrix 14 and in the gas phase, respectively.…”

Infrared absorption of gaseous ClCS detected with time-resolved Fourier-transform spectroscopy

“…The wave number of the approximate origin of this new feature, 1195 cm −1 , is within the expected range of 1212± 36 cm −1 predicted with the B3LYP/aug-cc-pVTZ method and only slightly greater than the reported value of 1189.3 cm −1 for the C-S stretching mode of matrix-isolated ClCS. 22 Considering that this feature appears immediately upon photolysis and decays rapidly due to the great reactivity of its carrier, and that the absorption band of another possible product CS is observed near 1285 cm −1 , we tentatively assign this transient absorption to ClCS.…”

“…The fitting yields a band origin at 1194.4 cm −1 , near the value of 1189.3 cm −1 reported for the C-S stretching ͑ 1 ͒ mode of matrix-isolated ClCS. 22…”

“…Schallmoser et al produced ClCS with a pulsed discharge jet of Cl 2 CS / Ar, CS 2 /Cl 2 / Ar, CS 2 /CCl 4 / Ar, and their isotopic variants, and deposited the gaseous mixture onto a cold substrate; they observed absorption lines at 1189.3 and 632.1 cm −1 which they attributed to the 1 ͑C-S stretching͒ and 3 ͑C-Cl stretching͒ modes of ClCS isolated in solid Ar. 22 Chan and Goddard predicted geometries, vibrational wave numbers, and energies of ClCS in the ground ͑X 2 AЈ͒ and first electronically excited states ͑A 2 AЉ͒ using restricted singles-and-doubles configuration-interaction ͑RCISD/ 6-31G * ͒ methods. 23 Vibrational wave numbers of the X 2 AЉ state of ClCS are predicted to be 1 = 1314 cm −1 , 2 ͑ClCS bend͒ = 355 cm −1 , and 3 = 699 cm −1 ; these values differ by more than 10% from the values observed in matrix experiments.…”

“…23 Vibrational wave numbers of the X 2 AЉ state of ClCS are predicted to be 1 = 1314 cm −1 , 2 ͑ClCS bend͒ = 355 cm −1 , and 3 = 699 cm −1 ; these values differ by more than 10% from the values observed in matrix experiments. 22 It is of interest to develop an infrared ͑IR͒ detection technique to investigate further the photodissociation dynamics of Cl 2 CS and reaction kinetics involving ClCS. We have successfully coupled a step-scan Fourier-transform spectrometer with a multipass absorption cell to record timeresolved infrared absorption spectra of reaction intermediates in the gaseous phase.…”