微波波谱法研究分子系统内基团大幅度运动动力学

Exploring Dynamics of Large Amplitude Internal Motions of Molecular Systems by Microwave Spectroscopy

分子中基团的运动方式、机制对分子体系性质、分子功能的表达等具有重要作用。微波波谱法在研究分子系统内部动力学、分子结构、构象变化、弱相互作用、基团大幅度运动以及探索量子溶剂等方面具有独特的能力,特别适合研究分子的精细结构、分子系统基团的内部转动运动,具有高灵敏度、高分辨率的特点。本文讨论了微波波谱法在研究分子系统基团大幅度运动动力学方面的应用,包括分子系统中甲基基团的内部转动、OH基团的运动、氨和氨基化合物的反演以及环状有机分子环运动等的动力学,同时结合作者使用微波波谱法研究的部分体系进行了分析。

Molecular group internal rotation and dynamics are of great significance in the expression of the activity and function of the molecules.Microwave spectroscopy which is capable of investigating the internal dynamics of molecular systems,the systematic structure of molecules,the conformation equilibria,weakly bound interactions,large amplitude motions,and quantum solvation mechanism,is a kind of technique with high sensitivity and resolution for studying group internal rotation dynamics and hyperfine structure of molecules.The large amplitude internal motions of molecular systems can be observed in their rotational spectra are reviewed in this paper.The typical motions are internal motion of methyl groups,internal motion of OH groups,inversion of amines and amides,organic ring motions and pseudorotation.Some our investigations are also discussed.