The effects of the correlation between vibration and rotation of partially oriented molecules on the N.M.R. parameters
The effects of the correlation between vibration and rotation of partially oriented molecules on the N.M.R. parameters
复制标题
部分取向分子的振动和旋转之间的相关性对核磁共振的影响
DOI：
10.1080/00268978400101591
复制
发表时间：
1984
影响因子：
1.7
通讯作者：
P. Diehl
中科院分区：
文献类型：
--
作者：
J. Lounila;P. Diehl
N.M.R.部分取向分子的光谱学提供了获得有关分子性质的详细信息的便利技术。然而，所得到的数据有时是内部不一致的，并显着依赖于实验条件，抛出一些怀疑的一般精度的方法。其原因可能是分子振动和再取向运动之间的相关性，而这在传统的分析中被忽略了。本文阐述了这种相关性对光谱参数影响的理论。由此产生的分子性质和光谱数据之间的关系被用来分析在不同的液晶溶剂中测得的苯的直接耦合常数。该方法解决了常规分析中遇到的困难：所获得的分子结构被证明是内部一致的和溶剂无关的。除了结构的方法也产生新的信息orie…
N.M.R. spectroscopy of partially oriented molecules provides a convenient technique for obtaining detailed information about molecular properties. However, the resulting data is sometimes internally inconsistent and markedly dependent on the conditions of the experiment, throwing some doubt on the general precision of the method. The probable reason for this is the correlation between the molecular vibrational and reorientational motion which is neglected in the conventional analysis. In this paper a theory for the effects of this correlation on the spectral parameters is elaborated. The resulting relation between molecular properties and spectral data is used to analyse the direct coupling constants of benzene measured in different liquid crystal solvents. The method solves the difficulties encountered in the conventional analysis: the molecular structure obtained proves to be internally consistent and solvent-independent. In addition to the structure the method yields also new information about the orie...