Correlation between energy levels of linear and bent X2Y2 molecules |
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Authors: | Koichi Yamada Toru Nakagawa Kozo Kuchitsu |
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Affiliation: | Department of Chemistry, Faculty of Science, The University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113, Japan |
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Abstract: | The permutation-inversion group developed by Longuet-Higgins is extended to a classification of the vibronic, torsional, and rotational wavefunctions of a nonrigid X2Y2 molecule by introducing a symmetry operation , which rotates the top half of the molecule by 2π and, accordingly, the molecule-fixed x axis by π. Since the energy levels of linear (D∞h) and bent (C2h, C2h, and C2) forms of X2Y2 are classified according to a set of common symmetry operations of this extended permutation-inversion group, their energy levels can be correlated, including those of nonrigid forms such as a quasilinear system or a free internal rotor. Nuclear spin weights and selection rules are derived. |
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