H-1-NMR SPECTRA OF AA'XX' AND AA'BB' TYPE - ANALYSIS AND CLASSIFICATION
H-1-NMR SPECTRA OF AA'XX' AND AA'BB' TYPE - ANALYSIS AND CLASSIFICATION
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DOI：
10.1002/anie.197208611
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发表时间：
1972-01-01
影响因子：
16.6
通讯作者：
GUNTHER, H
中科院分区：
文献类型：
--
作者：
GUNTHER, H
结果表明，对于AAXX‘和AABB’型核磁共振谱，在分子对称性的基础上，借助于所谓的X近似，一般四自旋情形的长期行列式可以大大简化。给出了直接分析这些光谱的方法，并结合实例详细讨论了光谱类型与化学结构之间的关系。在附录中，指出了Huckel MO理论的形式化与核自旋系统本征值和本征函数的计算之间的相似之处。
It is shown how the secular determinant for the general four-spin case can be greatly simplified in the case of NMR spectra of the AAXX’and AABB’type on the basis of molecular symmetry and with the aid of the so-called X approximation. The methods for the direct analysis of these spectra are presented, and the relations between the type of spectrum and the chemical structure are discussed in detail for selected examples. In an appendix, parallels are pointed out between the formalism of the Huckel MO theory and the calculation of the eigenvalues and eigenfunctions of nuclear spin systems.