The structure of CO-OCS: A spectroscopic and theoretical investigation

Journal article

The spectrum of the weakly bound complex CO-OCS has been measured in the infrared using direct absorption diode laser spectroscopy in a supersonic jet, and in the microwave region using a pulsed nozzle Fourier-transform instrument. In addition, microwave spectra of the two isotopomers 13CO-OCS and CO-OC34S were recorded. A T shaped structure has been determined with the carbon atom in CO closest to the OCS (RMS angle±20·5° with respect to the intermolecular axis) and the sulphur end of OCS pointing away from CO (vibrationally averaged angle 105·7°). The ground state centre of mass separation is 4·17 Å. The effective structure is rationalized by a simple potential incorporating a distributed multipole analysis of the electrostatic charge distribution, distributed dispersion contribution and a cylindrical hard core repulsion, with discussion of the implications for the potential of including correlation effects in the CO multipole.

Authors: Brookes, MD; Clift, D; Low, R; Brown, J; Howard, B

• Publication status: Published
• Journal: MOLECULAR PHYSICS
• Volume: 88
• Issue: 4
• Pages: 899-914
• Publication date: 1996-07-01
• ISSN: 0026-8976
• Language: English