The torsional spectrum of CH3CD3

Moazzen-Ahmadi, N.; Ozier, I.; McKellar, A. R. W.; Zerbetto, Francesco
November 1996
Journal of Chemical Physics;11/15/1996, Vol. 105 Issue 19, p8536
Academic Journal
The torsional spectrum of gaseous CH3CD3 has been measured between 230 and 280 cm-1 under relatively large pressure-path length conditions. The observations were made using a modified Bomem spectrometer at a resolution of 0.016 cm-1 and an absorption path of 20 m. The gas temperature and pressure were 190 K and 82 Torr, respectively. The prominent features of the spectrum are the P, Q, and R branches of the torsional fundamental (v6=1←0). The P and R branches consist of broad peaks from 0.3 to 0.5 cm-1 wide showing partially resolved rotational structure. A frequency analysis combining the present far-infrared frequencies with molecular beam, microwave, and mm-wave measurements from previously reported experiments yielded an improved set of torsion–rotation parameters. An intensity analysis was carried out to obtain the torsional dipole moments. The torsional dipole components μT⊥ and (μT||-μT⊥) were determined to be 14.0(1.5) and -39.6(4.0) μD, respectively. The conditions under which there is agreement between the experimental values and those calculated from theoretical expressions are discussed. © 1996 American Institute of Physics.


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