The Statistical Weights of the Rotational Levels of Polyatomic Molecules, Including Methane, Ammonia, Benzene, Cyclopropane and Ethylene
Autor: | E. Bright Wilson |
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Rok vydání: | 1935 |
Předmět: | |
Zdroj: | The Journal of Chemical Physics. 3:276-285 |
ISSN: | 1089-7690 0021-9606 |
Popis: | A general method is described for calculating the statistical weights (degeneracies) of the energy levels of polyatomic molecules. Wave functions for a molecule are assumed to be expressible as linear combinations of products of the electronic, vibrational, rotational and nuclear spin functions. By using standard methods of group theory, the number of linear combinations of these products are found having the correct symmetry with respect to those permutations of identical atoms which are equivalent to rotations of the molecule. It is not necessary to find the combinations themselves. The molecules CH4, CD4, CH3D, CHD3, CH2D2, CH3X, CD3X, NH3, ND3, C6H6, C3H6 and C2H2 are treated. In addition noncombining species in polyatomic molecules and the splitting of energy levels due to the multiplicity of equilibrium configurations are discussed. Tables of statistical weights are given for the above molecules which could be used to interpret alternating intensities in rotation‐vibration spectra or for more exact calculations of thermodynamic quantities than are usually made. |
Databáze: | OpenAIRE |
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