Quantifying the Association of Caffeine Using NMR Spectroscopy in the Chemistry Laboratory
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| Title: | Quantifying the Association of Caffeine Using NMR Spectroscopy in the Chemistry Laboratory |
|---|---|
| Language: | English |
| Authors: | Renuka Baral, Jackson V. Gunn, C. Scott Hartley (ORCID |
| Source: | Journal of Chemical Education. 2025 102(10):4611-4615. |
| Availability: | Division of Chemical Education, Inc. and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc |
| Peer Reviewed: | Y |
| Page Count: | 5 |
| Publication Date: | 2025 |
| Document Type: | Journal Articles Reports - Descriptive |
| Descriptors: | Spectroscopy, Chemistry, Laboratory Experiments, Science Experiments, Hands on Science, Molecular Structure, Science Instruction |
| DOI: | 10.1021/acs.jchemed.5c00613 |
| ISSN: | 0021-9584 1938-1328 |
| Abstract: | The self-association of caffeine in solution, driven by the hydrophobic effect, is a simple example of molecular aggregation. It obeys an isodesmic association model in which each successive binding occurs with the same equilibrium constant. Here, we describe an activity for chemistry students that explores this phenomenon using nuclear magnetic resonance (NMR) spectroscopy. By analyzing concentration-dependent chemical shift changes in the [superscript 1]H NMR spectra of caffeine dissolved in D[subscript 2]O, students are introduced to uses of NMR spectroscopy beyond structure elucidation. They gain hands-on experience in quantifying supramolecular equilibria and consider their results in the context of molecular-level interactions. |
| Abstractor: | As Provided |
| Entry Date: | 2025 |
| Accession Number: | EJ1486934 |
| Database: | ERIC |
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