Microwave spectrum and internal rotation of 2-butyne-1, 1, 1-d3 (dimethylacetylene), CH3C≡CCD3
- 15 June 1984
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 80 (12) , 5922-5925
- https://doi.org/10.1063/1.446697
Abstract
The rotational transitions of CH3C≡CCD3 have been observed for J=13←12, 15←14, 18←17, 19←18, 20←19, 22←21, 23←22, and 26←25 using a source‐frequency modulation microwave spectrometer with a 3.7 m long free space absorption cell maintained at −50 to −60 °C. The observed spectrum clearly shows the effect of internal rotation with a small potential barrier. The expression for the rotational transition frequency derived by Kirchhoff and Lide [J. Chem. Phys. 4 3, 2303 (1965)] using a second‐order perturbation theory for the contributions of the internal rotation was employed in analyzing the observed spectrum, and the least‐squares analysis has yielded the rotational constant B=2982.4980±0.0011 MHz and a few centrifugal distortion constants. The barrier height to internal rotation has been estimated to be 5.62±0.16 cm−1.Keywords
This publication has 22 references indexed in Scilit:
- Interprétation des spectres Raman du butyne-2, du pentyne-2 et de quelques composés analogues deutériés ǎ l'état liquide; étude de la résonance de Fermi affectant la vibration ν(CC)Spectrochimica Acta Part A: Molecular Spectroscopy, 1979
- High resolution Raman spectroscopy of gases with laser sources. XIV—The pure rotational spectra of dimethylacetylene and dimethyldiacetyleneJournal of Raman Spectroscopy, 1979
- Bond Lengths of Dimethylacetylene as Determined by Gas Electron DiffractionBulletin of the Chemical Society of Japan, 1969
- NORMAL MODES, CORIOLIS COUPLING, AND CENTRIFUGAL DISTORTION IN MOLECULES WITH NEARLY FREE INTERNAL ROTATION: CH3—C≡C—CH3 AND CH3—C≡C—SiH3Canadian Journal of Physics, 1967
- VIBRATIONAL MOTIONS IN DIMETHYL ACETYLENECanadian Journal of Physics, 1965
- A GROUP-THEORETICAL TREATMENT OF ELECTRONIC, VIBRATIONAL, TORSIONAL, AND ROTATIONAL MOTIONS IN THE DIMETHYLACETYLENE MOLECULECanadian Journal of Physics, 1964
- The infra-red spectrum of dimethylacetylene and the torsional barrierProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1964
- The calculation of force constants and normal coordinates—V constrained force fields for a series of methyl and dimethyl compounds of 3-fold symmetrySpectrochimica Acta, 1964
- Internal rotation in dimethyl acetyleneProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1954
- Synthesis and physical properties of several acetylenic hydrocarbonsJournal of Research of the National Bureau of Standards, 1954