Through-space H-F coupling in a series of 4-substituted-1H-1,2,3-triazoles

IF 1.9 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Magnetic Resonance in Chemistry Pub Date : 2024-05-30 DOI:10.1002/mrc.5469

Robert J. Kempton, Saige Bradley, Seth August Bozarth, Gabriel Wheatcroft, Amber J. Onorato, Patrick M. Hare

引用次数: 0

Abstract

In the ¹H-NMR spectra of a series of N-1 substituted 4-substituted-1H-1,2,3-triazoles that have been prepared, the lone heterocyclic ring hydrogen (H-5) appears as a singlet in all cases except those compounds that contain a 2-fluorophenyl moiety at Position 4. In those cases, H-5 is a doublet with J ~3.7 Hz. Based on computational chemistry results and geometric considerations, we attribute this splitting to through-space H-F coupling.

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一系列 4-取代-1H-1,2,3-三唑中的通空 H-F 耦合。

在已制备的一系列 N-1 取代的 4-取代-1H-1,2,3-三唑的 1H-NMR 光谱中，除了那些在第 4 位含有 2-氟苯基分子的化合物外，杂环的孤环氢（H-5）在所有情况下都显示为单色。在这些情况下，H-5 是 J ~3.7 Hz 的双音。根据计算化学结果和几何考虑，我们将这种分裂归因于通空 H-F 耦合。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.