THEORY OF PURE ROTATIONAL TRANSITIONS IN $C_{2}H_{6}$

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1979

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Ohio State University

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The pure rotational spectrum of ethane is considered to be forbidden, since the point group of the molecule in its equilibrium position, D3d, contains a center of symmetry. However, in the non-rigid molecules, belonging to the symmetry group G36+, torsion-vibration-rotation interaction induce an effective dipole moment of the form μωμωTJωPγ(ω=0,±1) where Jω and Pγ are components of the rotational and tensional angular momentum, respectively, and μωT are coupling constants that obey the relation μ1Tμ−1T+μ0T. This effective dipole moment operator gives rise to pure rotational transitions in doubly degenerate tensional states, with the selection rules ΔJ=0,±1 and ΔK=0. The same operator is also responsible for the pure torsionAL torsion-rotation transitions discussed previously1,2. Expression for the integrated intensities of pure rotational transitions will be presented. Based on the estimate μ1T+μ0T−10−4D, derived from the observed torsion and fundamental band1, the line strengths for low J transitions in the microwave region were calculated to be of the order of 10−11cm−2atm−1. Such lines can be observed in the laboratory with the state of the art microwave spectrometers. Estimated transition intensities in the infrared region are of the order of 10−8cm−2atm−1 and are considered too weak to be observed in the laboratory with conventional far infrared instrumentation.

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1D. F. Eggers, JR., J. Chem, Phys, 48, 1393 (1967). 2D. F. Eggers, JR., R. C. Lord and Wickstrom, J. Mol. Spectrosc., 59, 63 (1976).


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