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Qualitative Analysis of Torsional Motion in Molecules with a Center of Inversion: II. The Ethylene Molecule ~(12)C_2H_4

机译:具有反转中心的分子扭转运动的定性分析:II。乙烯分子〜(12)C_2H_4

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Using the concept of the chain of symmetry groups, a qualitative analysis of torsional motion in molecules whose equilibrium configurations possess a center of inversion is performed. The analysis includes the classification of stationary states and the construction of effective operators of physical quantities describing intermolecular motion in the presence of internal rotation. The set of independent energy-equivalent equilibrium configurations of a molecule that is required for the analysis is specified with the help of the coordinate spin operator. For molecules of the given type with a linear framework and two identical torsional tops, guidelines are given that may be used to separate rotational and torsional motions in the case where they cannot be described independently.
机译:使用对称基团链的概念,对平衡构型具有反转中心的分子中的扭转运动进行了定性分析。分析包括稳态的分类和构造有效量的物理量算符,这些算术量描述了存在内部旋转时的分子间运动。在坐标自旋算子的帮助下,指定了分析所需的一组独立的能量等效当量平衡构型。对于具有线性骨架和两个相同的扭转顶部的给定类型的分子,给出了在不能独立描述的情况下可用于分离旋转运动和扭转运动的准则。

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