Symmetry considerations for internal rotation in ethylene-like molecules |
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Authors: | AJ Merer James KG Watson |
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Institution: | Department of Chemistry, University of British Columbia, Vancouver 8, B. C., Canada;Department of Physics, The Ohio State University, Columbus, Ohio 43210 USA |
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Abstract: | The theory of the symmetry properties of the rotational and torsional levels is developed for molecules consisting of two identical XY2 groups connected by a symmetrical linear chain of atoms, with an arbitrary barrier to internal rotation. The levels are classified according to the representations of the double group of the Longuet-Higgins permutation-inversion group, and selection rules for electric dipole transitions are derived. It is shown that the symmetries of the normal coordinates of ethylene-like molecules can be different from those given recently by Papou?ek, Sarka, ?pirko and Jordanov. The results are applicable to the vibrational spectra of molecules like B2F4 and B2Cl4, which have low barriers to internal rotation in their ground states, and to the vibrational and rotational structure of electronic transitions of C2H4, where the combining electronic states may have very different torsional potential functions. |
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