群论解决分子振动问题的一般原理和方法

用群论方法处理多原子分子的振动问题,是群论在化学中的一个重要应用。原以为分子振动是杂乱无章的,但经群论方法的分析,就能揭示振动的规律性,将多原子分子复杂的振动分解为一系列的简单振动——简正振动,并求出分子所具有的不同简正振动的数目及所属的对称类型,确定是否具有红外活性,从而在理论上了解振动光谱的实质。

General Principles and Methods to Solve the Problem of Molecular Vibration on Group Theory

To solve the problem of molecular vibration on group theory is an important application of it in chemistry. It was thought before that the molecular vibration was disorderly and unsystematic, but analy-sed by means of th'e theory,the regularity of the vibration can be brought to light. The complicated vibration of polyatomic molecules is resolved into aseries of simple vibrati ons ( called simplex vibrations), the number and symmetry type of different simplex vibrations of the the molecule are extracted, it is known if it has any infrored activity, and therefore the substance of the vibrating spectrumis under stood.