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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >NMR Spectra Transformed by Electron-Nuclear Coupling as Indicator of Structural Peculiarities of Magnetically Active Molecular Systems
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NMR Spectra Transformed by Electron-Nuclear Coupling as Indicator of Structural Peculiarities of Magnetically Active Molecular Systems

机译：电子-核耦合转化的NMR光谱作为磁性活性分子系统结构特殊性的指标

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摘要

The peculiarities of nuclear spin relaxation in the paramagnetic systems have been analyzed taking into account the exchange processes. The analysis is based on the modified Solomon Bloembergen equations. In this line, the conditions of detecting of the NMR signals of samples are discussed depending on resonance frequency of the NMR spectrometer and characteristic relaxation time. On this basis, H-1 NMR spectra of cobalt semiquinolate complex have been analyzed. It has been shown that the satellite signals observed in the spectrum are caused by hyperfine coupling of the tert-butyl group protons with alpha and beta states (localized on p(z) orbital of the aromatic carbon) of unpaired electron spin. The relaxation process of the resonance protons is controlled by paramagnetic dipole dipole coupling. The contact hyperfine coupling does not contribute to the paramagnetic broadening. A mechanism involving paramagnetic molecular structures, which are responsible for intramolecular exchange processes in the cobalt semiquinolate complex, is given.
机译：考虑到交换过程，分析了顺磁性系统中核自旋弛豫的特殊性。该分析基于修改后的Solomon Bloembergen方程。在这条线中，将根据NMR光谱仪的共振频率和特征弛豫时间来讨论样品NMR信号的检测条件。在此基础上，分析了半喹啉钴配合物的H-1 NMR光谱。已经表明，在光谱中观察到的卫星信号是由叔丁基质子与未配对电子自旋的α和β态（位于芳族碳的p（z）轨道上）的超精细耦合引起的。共振质子的弛豫过程由顺磁偶极偶极耦合控制。接触超精细耦合无助于顺磁展宽。给出了一种涉及顺磁性分子结构的机制，该机制负责半喹诺酸钴配合物的分子内交换过程。

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