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FAR-INFRARED SPECTRA AND TWO-DIMENSIONAL RING-BENDING POTENTIAL ENERGY SURFACE OF 1,3-OXATHIOLANE

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/12515

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Title: FAR-INFRARED SPECTRA AND TWO-DIMENSIONAL RING-BENDING POTENTIAL ENERGY SURFACE OF 1,3-OXATHIOLANE
Creators: Leibowitz, S. J.; Villarreal, J. R.; Laane, J.
Issue Date: 1991
Abstract: The far-infrared spectra of the five-membered ring 1,3-oxathiolane have been recorded and analyzed. A series of well-defined bands due to the ring-bending (hindered pseudorotation) vibration originate at 110 $cm^{-1}$. These are separated by about 10 $cm^{-1}$ and extend down to 33 $cm^{-1}$. A second series of bands near 314 $cm^{-1}$ arise from the ring-twisting (radial) mode. Sum, difference, and combination bands between the twisting and bending vibrations have also been observed and these provide a definitive assignment for all of the low-lying energy states. The pseudorotational series can be fit using a one-dimensional periodic potential and a barrier to pseudorotation of 500 $cm^{-1}$. However, the two-dimensional potential surface derived for this molecule provides a more complete picture of the conformational energetics. The calculations were aided by the determination of the appropriate kinetic energy expansions for the two out-of-plane ring motions.
URI: http://hdl.handle.net/1811/12515
Other Identifiers: 1991-TC-3
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