The rotation-vibration spectra of allene and allene-d4

Lord, R. C. ; Venkateswarlu, Putcha (1952) The rotation-vibration spectra of allene and allene-d4 The Journal of Chemical Physics, 20 (8). pp. 1237-1247. ISSN 0021-9606

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The infrared absorption spectra of allene and allene-d4 vapor have been measured over the spectral range 250-5000 cm−1 with a prism spectrometer. The infrared data, together with previously obtained Raman spectra, enable a complete vibrational analysis that satisfies the product rule well for all vibrational species. The torsional vibration is located at 865 cm−1 in allene and 615 cm−1 in allene-d4. Fine structure was resolved for all perpendicular fundamental bands except that of the lowest frequency in both compounds. With help of the Ζ-sum rule, a modified equation of H. H. Nielsen and the statistical weights of the rotational levels, the fine structure is analyzed to yield a complete set of Ζ-values for both molecules and a moderately accurate value for the moment of inertia about the figure axis. The latter gives for the HCH angle the figure 113°; ± 1°; if one assumes a C∃ H distance of 1.071A.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
ID Code:68557
Deposited On:02 Nov 2011 10:41
Last Modified:02 Nov 2011 10:41

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