Structural Chemistry

, Volume 3, Issue 4, pp 245–252

High resolution infrared spectrum and molecular structure of dichloroacetylene

  • D. McNaughton

DOI: 10.1007/BF00672792

Cite this article as:
McNaughton, D. Struct Chem (1992) 3: 245. doi:10.1007/BF00672792


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.

Copyright information

© Plenum Publishing Corporation 1992

Authors and Affiliations

  • D. McNaughton
    • 1
  1. 1.Department of ChemistryMonash UniversityClaytonAustralia

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