Spectroscopic observation and structure of CS2 dimer

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DOIResolve DOI: http://doi.org/10.1063/1.3578177
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Journal titleJournal of Chemical Physics
Article number144306
SubjectBand centers; Center of mass; Combination bands; Fundamental bands; High resolution; Infrared spectrum; Intermolecular vibrations; Jet expansion; Rotational structures; Spectroscopic investigations; Symmetric rotors; Torsional bending; Tunable diode lasers; Weakly bound complexes; Carbon disulfide; Helium; Spectrometers; Spectroscopy; Supersonic aerodynamics; Vibration analysis; Dimers
AbstractInfrared spectra of the CS2 dimer are observed in the region of the CS2 ν3 fundamental band (∼1535 cm-1) using a tunable diode laser spectrometer. The weakly bound complex is formed in a pulsed supersonic slit-jet expansion of a dilute gas mixture of carbon disulfide in helium. Contrary to the planar slipped-parallel geometry previously observed for (CO2)2, (N2O)2, and (OCS)2, the CS2 dimer exhibits a cross-shaped structure with D2d symmetry. Two bands were observed and analyzed: the fundamental (C-S asymmetric stretch) and a combination involving this mode plus an intermolecular vibration. In both cases, the rotational structure corresponds to a perpendicular (ΔK = ±1) band of a symmetric rotor molecule. The intermolecular center of mass separation (C-C distance) is determined to be 3.539(7) Å. Thanks to symmetry, this is the only parameter required to characterize the structure, if the monomer geometry is assumed to remain unchanged in the dimer. From the band centers of the fundamental and combination band an intermolecular frequency of 10.96 cm-1 is obtained, which we assign as the torsional bending mode. This constitutes the first high resolution spectroscopic investigation of CS2 dimer. © 2011 American Institute of Physics.
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AffiliationNational Research Council Canada (NRC-CNRC); NRC Steacie Institute for Molecular Sciences (SIMS-ISSM)
Peer reviewedYes
NPARC number21271580
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Record identifier69003b62-c594-40db-af80-1b012936b169
Record created2014-03-24
Record modified2017-03-23
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