High resolution infrared spectrum and molecular structure of dichloroacetylene
- Cite this article as:
- McNaughton, D. Struct Chem (1992) 3: 245. doi:10.1007/BF00672792
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The infrared spectrum of dichloroacetylene, prepared by the pyrolysis of dichloromaleic anhydride at 1000°C, has been recorded at both low and high resolution. In the low resolution spectrum a number of combination bands not previously observed have been assigned, the infrared active fundamentals have been reassigned, and a center wavenumber value has been determined for the Raman activev1 fundamental. The high resolution spectra of a number of fundamental bands, summation bands, and one difference band for the isotopomers,35CIC≡C35CI and35CIC≡C37CI, have been assigned, while a more limited number of bands has been assigned for the species37CIC≡C37CI and35CI13C≡C35CI. The resultant rotational and vibration-rotation constants have been used to obtainro,re,rs, and partial rs structural parameters. The most reliable bond lengths are obtained from the partialrs treatment and are 164.105(53) pm for the C-CI bond and 119.203(79) pm for the C≡C bond.