OSU Navigation Bar

The Ohio State University University Libraries Knowledge Bank

MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/31188

Show full item record

Files Size Format View
abstract.gif 17.65Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
RAPColumbus07.ppt 1.614Mb Microsoft PowerPoint View/Open
Slide1.GIF 19.03Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
Slide2.GIF 60.00Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
Slide3.GIF 57.34Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
Slide4.GIF 53.75Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
Slide5.GIF 20.86Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
Slide6.GIF 15.73Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
Slide7.GIF 17.71Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
Slide8.GIF 52.99Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
Slide9.GIF 23.34Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
Slide10.GIF 21.28Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
Slide11.GIF 16.62Kb GIF image Thumbnail of MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES

Title: MICROWAVE AND AB INITIO INVESTIGATIONS OF CHCl$_2$F--OCS AND RELATED HYDROCHLOROFLUOROCARBON COMPLEXES
Creators: Peebles, Rebecca A.; Steber, Amanda L.
Issue Date: 2007
Abstract: The microwave spectrum of the weakly bound dimer of Freon-21 (CHCl$_2$F) with OCS has been investigated by Fourier-transform microwave spectroscopy and ab initio calculations. The two equivalent chlorine atoms in CHCl$_2$F lead to extensive hyperfine splittings in the spectra, and since they do not lie in any of the planes defined by the principal axes of the complex, all three off-diagonal elements of the quadrupole coupling tensor are expected to be nonzero. Initial analysis of the extensive hyperfine splitting from the two chlorine atoms leads to fitted rotational constants that are in excellent agreement with MP2/6-311++G(2d,2p) predictions for a structure with a $2.49$ \AA C-H...O interaction between the CHCl$_2$F and OCS and a secondary interaction between the chlorine atoms from the CHCl$_2$F and the carbon atom of the OCS (C...C $= 3.60$ \AA; C...Cl $= 3.57$ \AA). Ab initio structures for the CHCl$_2$F--CO$_2$, CHClF$_2$--OCS and CHClF$_2$--CO$_2$ complexes will also be examined and comparisons will be made to the analogous series of CH$_n$F$_{4-n}$ ($n = 1-3$) complexes with OCS and CO$_2$.
URI: http://hdl.handle.net/1811/31188
Other Identifiers: 2007-RG-05
Bookmark and Share