NMR-Challenge.com：一个交互式网站，提供从 NMR 光谱求解结构的练习,Journal of Chemical Education

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NMR-Challenge.com：一个交互式网站，提供从 NMR 光谱求解结构的练习
Journal of Chemical Education ( IF 2.5 ) Pub Date : 2023-01-05 , DOI: 10.1021/acs.jchemed.2c01067
Ondřej Socha _{1,

2} , Zuzana Osifová _{1,

3} , Martin Dračínský ₁

Affiliation

核磁共振 (NMR) 波谱是一种非常强大的分析方法，已在物理学、化学、生物学和医学中找到许多应用。它是合成化学家不可或缺的工具，因为它可用于快速阐明有机化合物的结构。出于这个原因，核磁共振光谱解释是所有化学学生核心知识的一部分，从他们本科学习的第一年就开始教给他们。然而，NMR 光谱解释技能只能通过经验来学习。我们提供了一个新的教育网站，其中包括 160 多个针对真实样品测量的 NMR 光谱分配。每项作业都包含未知化合物的核磁共振谱，学生的任务是确定其结构。基本分配仅包含一维¹ H和¹³ C NMR光谱；高级作业还提供二维相关谱。Web 应用程序丰富了一个交互式化学结构绘图工具，可以为用户提供有关他们提出的结构的即时反馈。所呈现的作业根据难度进行分级，以保持初学者和高级学生的积极性。该网页将不断更新新的光谱问题。

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NMR-Challenge.com: An Interactive Website with Exercises in Solving Structures from NMR Spectra

Nuclear magnetic resonance (NMR) spectroscopy is a very powerful analytical method that has found many applications in physics, chemistry, biology, and medicine. It is an indispensable tool particularly for synthetic chemists because it can be used for a rapid elucidation of the structures of organic compounds. For this reason, NMR spectral interpretation is a part of the core knowledge of all chemistry students, taught to them from the first years of their undergraduate studies. However, NMR spectral interpretation skills can only be learned by experience. We present a new educational website that includes more than 160 NMR spectral assignments measured for real samples. Each assignment contains NMR spectra of an unknown compound, with the task for the students being to determine its structure. Basic assignments contain only one-dimensional ¹H and ¹³C NMR spectra; advanced assignments also offer two-dimensional correlation spectra. The web application is enriched with an interactive chemical structure drawing tool, which gives the users immediate feedback about their proposed structures. The presented assignments are graded according to difficulty to keep both beginners and advanced students motivated. The web page will be continuously updated with new spectral problems.

更新日期：2023-01-05

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