The structure of CO-OCS: A spectroscopic and theoretical investigation
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 C...
| Main Authors: | , , , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
1996
|
| Summary: | 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. |
|---|