The symmetry groups of non-rigid molecules as semi-direct products
The symmetry groups of non-rigid molecules as semi-direct products
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作为半直积的非刚性分子的对称群
DOI：
10.1080/00268977000101811
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发表时间：
1970
期刊：
影响因子：
--
通讯作者：
C. M. Woodman
中科院分区：
文献类型：
--
作者：
C. M. Woodman
研究了将非刚性分子的对称群（Longuet-Higgins定义的对称群）表示为子群的乘积的可能性。对于最一般的非刚性情况，没有这样的公式是可能的。当非刚性是由围绕一个或多个轴的内旋转引起时，分子对称群可以写成不变扭转子群和“框架子群”的半直积，其中不变扭转子群是循环群的直积，而“框架子群”与通过分离所有经历内旋转的核而形成的“框架”的点群同构。一个相关表可以被绘制出来，将扭转和框架子群的表示与分子对称群的表示联系起来。该表可用于对分子波函数的各种因子进行分类，而不需要进行分子对称群的繁琐构造。该方法被扩展到含有旋转基团的分子，反过来又含有更多的旋转基团…
The possibility of formulating the symmetry groups of non-rigid molecules (as defined by Longuet-Higgins) as products of subgroups is investigated. For the most general case of non-rigidity, no such formulation is possible. When the non-rigidity results from internal rotation about one or more axes, the molecular symmetry group may be written as a semi-direct product of an invariant torsional subgroup, which is a direct product of cyclic groups, and a ‘frame subgroup’, which is isomorphous with the point group of the ‘frame’ formed by detaching all the nuclei undergoing internal rotation. A correlation table may be drawn up linking the representations of the torsional and frame subgroups with those of the molecular symmetry group. This table may be used to classify the various factors of the molecular wave-function, without the need to perform the tedious construction of the molecular symmetry group. The method is extended to molecules containing rotating groups which in turn contain more rotating groups ...