通过变温实验支持核磁共振光谱的分配

IF 1.9 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Magnetic Resonance in Chemistry Pub Date : 2024-02-01 DOI:10.1002/mrc.5433

Ewa K. Nawrocka, Michał Jadwiszczak, Piotr J. Leszczyński, Krzysztof Kazimierczuk

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引用次数: 0

摘要

核磁共振 (NMR) 光谱是分析化学中最强大的工具之一。分析 NMR 数据的一个重要步骤是为所研究分子中的相应原子分配共振频率。传统方法考虑的是光谱的特征参数：化学位移值、核间耦合和峰强度。在本文中，我们展示了如何利用温度系数（即与给定温度变化相关的化学位移值变化率）来支持一系列类似有机化合物光谱的分配过程。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Supporting the assignment of NMR spectra with variable-temperature experiments

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Supporting the assignment of NMR spectra with variable-temperature experiments

Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful tools in analytical chemistry. An important step in the analysis of NMR data is the assignment of resonance frequencies to the corresponding atoms in the molecule being investigated. The traditional approach considers the spectrum's characteristic parameters: chemical shift values, internuclear couplings, and peak intensities. In this paper, we show how to support the process of assigning a series of spectra of similar organic compounds by using temperature coefficients, that is, the rates of change in chemical shift values associated with given changes in temperature.

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来源期刊

Magnetic Resonance in Chemistry 化学-光谱学

CiteScore

4.70

自引率

10.00%

发文量

审稿时长

1 months

期刊介绍： MRC is devoted to the rapid publication of papers which are concerned with the development of magnetic resonance techniques, or in which the application of such techniques plays a pivotal part. Contributions from scientists working in all areas of NMR, ESR and NQR are invited, and papers describing applications in all branches of chemistry, structural biology and materials chemistry are published. The journal is of particular interest not only to scientists working in academic research, but also those working in commercial organisations who need to keep up-to-date with the latest practical applications of magnetic resonance techniques.