Determination of rotational and centrifugal distortion constants using quadrupole hyperfine structure: The microwave spectrum of lodine isocyanate, INCO

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Abstract

The microwave spectrum of the unstable molecule iodine isocyanate, INCO, has been observed from the flow reaction of I2 vapor with silver cyanate. The spectrum, which was measured in the frequency range 18–54 GHz, contains strong a-type and very weak b-type transitions. The transitions show I and N quadrupole hyperfine structure; many perturbations in the I structure have been observed. Our novel method for using such perturbations to evaluate otherwise unobtainable rotational constants has been extended to include centrifugal distortion constants. This has been done using a global least-squares fitting program developed especially for the purpose. The molecule has been shown to be planar, and a partial r0 structure has been determined. The principal values of the I quadrupole tensor have been evaluated, and are consistent with a straight IN bond.

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Work supported by the Natural Sciences and Engineering Research Council of Canada.

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Present address: Department of Chemistry and Biochemistry, University of Guelph, Guelph, Ontario N1G 2W1, Canada.

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