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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Spin state selective detection of single quantum transitions using multiple quantum coherence: Simplifying the analyses of complex NMR spectra
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Spin state selective detection of single quantum transitions using multiple quantum coherence: Simplifying the analyses of complex NMR spectra

机译：使用多量子相干性的自旋态选择性检测单个量子跃迁：简化复杂NMR光谱的分析

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摘要

NMR spectra of molecules oriented in liquid-crystalline matrix provide information on the structure and orientation of the molecules. Thermotropic liquid crystals used as an orienting media result in the spectra of spins that are generally strongly coupled. The number of allowed transitions increases rapidly with the increase in the number of interacting spins. Furthermore, the number of single quantum transitions required for analysis is highly redundant. In the present study, we have demonstrated that it is possible to separate the subspectra of a homonuclear dipolar coupled spin system on the basis of the spin states of the coupled heteronuclei by multiple quantum (MQ)-single quantum (SQ) correlation experiments. This significantly reduces the number of redundant transitions, thereby simplifying the analysis of the complex spectrum. The methodology has been demonstrated on the doubly C-13 labeled acetonitrile aligned in the liquid-crystal matrix and has been applied to analyze the complex spectrum of an oriented six spin system.
机译：在液晶基质中取向的分子的NMR光谱提供了有关分子的结构和取向的信息。用作定向介质的热致液晶会产生自旋的光谱，这些自旋通常是牢固耦合的。随着相互作用的自旋数的增加，允许的跃迁数迅速增加。此外，分析所需的单个量子跃迁的数量是高度冗余的。在本研究中，我们已经证明可以通过多量子（MQ）-单量子（SQ）相关实验，基于耦合的杂核的自旋状态，分离同核双极耦合自旋系统的亚谱。这显着减少了冗余跃迁的数量，从而简化了复杂频谱的分析。该方法已在液晶基质中排列的双C-13标记乙腈上得到证明，并已用于分析定向六自旋系统的复杂光谱。

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