15min:
FOURIER TRANSFORM MICROWAVE AND INFRARED SPECTROSCOPIC INVESTIGATION OF PROPIOLACTONE.

ZIQIU CHEN AND JENNIFER VAN WIJNGAARDEN, Department of Chemistry, University of Manitoba, Winnipeg MB R3T 2N2 Canada.

The pure rotational spectrum of the four-membered ester ring propiolactone (C3H4O2) has been measured in a supersonic jet between 7 and 22 GHz using Fourier transform microwave (FTMW) spectroscopy. For the normal isotopologue, a total of 19 a- and b- type transitions have been recorded. Fifteen transitions due to three different 13C isotopologues have also been observed. The microwave spectrum was analyzed to obtain an improved set of ground state rotational constants in comparison to earlier microwave experiments. The new set of rotational parameters was used to predict the rovibrational band structure of the lowest frequency modes of propiolactone. A total of 12 vibrational band origins have been observed between 400 and 1500 cm-1 using the far infrared beamline of the Canadian Light Source coupled to a Bruker IFS125HR spectrometer. The spectra were recorded with a resolution of 0.000969 cm-1 and although the intensities of the bands vary, 9 bands are of sufficient quality for complete rovibrational assignment. The progress of the assignment of this rich spectrum will be discussed.