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Updated: Feb 12, 2026

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
Teaching NMR spectra analysis with nmr.cheminfo.org
Luc Patiny1, Alejandro Bolaños2, Andrés M Castillo3
1Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, CH, -1015, Switzerland.
This study introduces nmr.cheminfo.org, an online platform for spectroscopy analysis and structure elucidation training. It offers interactive exercises and computational tools, inviting contributions to expand its educational resources for chemistry students.
Area of Science:
- Chemistry education
- Spectroscopy
- Organic structure elucidation
Background:
- Effective teaching of spectra analysis and structure elucidation necessitates practical, real-world problem-solving.
- Computational tools are increasingly important for complex chemical structure determination.
Purpose of the Study:
- To present nmr.cheminfo.org as an accessible online platform for spectroscopy training.
- To provide students with interactive exercises and computational tools for learning structure elucidation.
- To encourage community contributions for expanding the platform's educational content.
Main Methods:
- Development of an online platform (nmr.cheminfo.org).
- Inclusion of a suite of exercises with varying complexity.
- Integration of computational tools to aid problem-solving.
Main Results:
- An accessible online alternative to desktop software for NMR spectroscopy training is now available.
- The platform currently hosts a limited number of exercises.
- A framework for community-driven content expansion is established.
Conclusions:
- nmr.cheminfo.org offers a valuable online resource for spectroscopy and structure elucidation education.
- The platform's success relies on ongoing contributions from educators and researchers.
- Further development is needed to broaden the range of available exercises and problem types.
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