Institute of Physics, Faculty of Physics, Astronomy and Applied Computer Science, Jagiellonian University in Kraków, Kraków 30-348, Poland.
J Phys Chem Lett. 2021 Jan 21;12(2):787-792. doi: 10.1021/acs.jpclett.0c03532. Epub 2021 Jan 7.
Organophosphorus compounds are a wide and diverse class of chemicals playing a crucial role in living organisms. This aspect has been often investigated using nuclear magnetic resonance (NMR), which provides information about molecular structure and function. In this paper, we report the results of theoretical and experimental studies on basic organophosphorus compounds using zero-field NMR, where spin dynamics are investigated in the absence of a magnetic field with the dominant heteronuclear -coupling. We demonstrate that the zero-field NMR enables distinguishing the chemicals owing to their unique electronic environment even though their spin systems have the same alphabetic designation. Such information can be obtained just in a single measurement, while amplitudes and widths of observed low-field NMR resonances enable the study of processes affecting spin dynamics. An excellent agreement between simulations and measurements of the spectra, particularly in the largest frequency -couplings range ever reported in zero-field NMR, is demonstrated.
有机磷化合物是一类广泛而多样的化学物质，在生物体中起着至关重要的作用。这方面经常使用核磁共振（NMR）进行研究，它提供了关于分子结构和功能的信息。在本文中，我们报告了使用零场 NMR 对基本有机磷化合物进行理论和实验研究的结果，其中在没有磁场的情况下研究了自旋动力学，而磁场的主要异核耦合。我们证明，零场 NMR 能够区分化学物质，因为它们具有独特的电子环境，即使它们的自旋系统具有相同的字母标记。这种信息可以仅在单次测量中获得，而观察到的低场 NMR 共振的幅度和宽度则可以研究影响自旋动力学的过程。证明了模拟和测量谱之间的极好一致性，特别是在零场 NMR 中报告的最大频率耦合范围内。
