The Statistical Weights of the Rotational Levels of Polyatomic Molecules, Including Methane, Ammonia, Benzene, Cyclopropane and Ethylene

Autor:	E. Bright Wilson
Rok vydání:	1935
Předmět:	Polyatomic ion General Physics and Astronomy Molecular physics Spectral line Symmetry (physics) Cyclopropane chemistry.chemical_compound chemistry Computational chemistry Molecule Physics::Chemical Physics Physical and Theoretical Chemistry Multiplicity (chemistry) Linear combination Wave function
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
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f0e40662e8c87dfaa973a7fb4bebfe5d https://doi.org/10.1063/1.1749653 Zobrazit plný text záznamu