The Statistical Weights of the Rotational Levels of Polyatomic Molecules, Including Methane, Ammonia, Benzene, Cyclopropane and Ethylene
The Statistical Weights of the Rotational Levels of Polyatomic Molecules, Including Methane, Ammonia, Benzene, Cyclopropane and Ethylene
复制标题
甲烷、氨、苯、环丙烷和乙烯等多原子分子旋转能级的统计权重
DOI：
10.1063/1.1749653
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发表时间：
1935
影响因子：
4.4
通讯作者：
E. Wilson
中科院分区：
文献类型：
--
作者：
E. Wilson
本文介绍了计算多原子分子能级统计权重（简并度）的一般方法。假设分子的波函数可以表示为电子、振动、转动和核自旋函数的乘积的线性组合。通过使用群论的标准方法，发现这些产物的线性组合的数量相对于等同于分子旋转的相同原子的排列具有正确的对称性。没有必要自己去寻找组合。处理分子CH 4、CD 4、CH 3D、CH D3、CH 2D2、CH 3X、CD 3X、NH 3、ND 3、C6H6、C3H6和C2H2。此外，还讨论了多原子分子中的非结合物种以及由于平衡构型的多重性而引起的能级分裂。给出了上述分子的统计权重表，可用于解释旋转振动光谱中的交替强度或更精确的计算。
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 ...