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| 正二十面体分子对称性轨道 | |
| 引用本文： | 程文旦,林梦海,张乾二. 正二十面体分子对称性轨道[J]. 结构化学, 1982, 0(2) |
| 作者姓名： | 程文旦 林梦海 张乾二 |
| 作者单位： | 厦门大学化学系，厦门大学化学系，厦门大学化学系 中国科学院福建物质结构研究所 |
| 摘 要： | 本文应用多面体分子轨道理论中的群重叠法,讨论正多面体分子对称性轨道的一般造法和变换系数S的计算方法。以正二十面体分子为例,构造了三角组分系的对称性轨道,并把S—系数计算结果列于附表。 |
Symmetrical Obitals of the Regular Icosahedral Molecule |
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| Abstract: | In this paper, instead of the traditional and tedious projection operator method, a general method is proposed for constructing the symmetrical obitals of the regular icosahedral molecule with a trigonal component system. By using this method the transformation coefficients Smj, between the basic vectors of three dimensional rotational group and those of the icosahedral group have been calculated and tabulated. It is shown that the group overlap method proposed in the article entitled《Theoretical Method of Polyhedral Molecular Obitals》 by one of the authors is an effective method for studying the symmetrical obitals of the structural polyhedra. This method is suitable for the construction of the symmetrical obitals of all the polyhedra with various quantization axes. |
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