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Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules

[Image: see text] Simple mathematical models can serve to reveal the essence of experimental phenomena and scientific concepts. The particle in a box (PIB), for example, is widely used in undergraduate programs to teach the quantum mechanical principles behind the UV–vis spectra of conjugated polyen...

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Autores principales: Solà, Miquel, Bickelhaupt, F. Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society and Division of Chemical Education, Inc. 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9558373/
https://www.ncbi.nlm.nih.gov/pubmed/36246423
http://dx.doi.org/10.1021/acs.jchemed.2c00523
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author Solà, Miquel
Bickelhaupt, F. Matthias
author_facet Solà, Miquel
Bickelhaupt, F. Matthias
author_sort Solà, Miquel
collection PubMed
description [Image: see text] Simple mathematical models can serve to reveal the essence of experimental phenomena and scientific concepts. The particle in a box (PIB), for example, is widely used in undergraduate programs to teach the quantum mechanical principles behind the UV–vis spectra of conjugated polyenes and polyynes. In this work, the particle on a ring (POR) and the PIB models are used to elucidate the concept of aromaticity in Introductory Chemistry courses. Thus, we explain the origin of the aromatic stabilization energy, Hückel’s rule, and Baird’s rule. Besides applications, the limitations of the POR and PIB models are also discussed.
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spelling pubmed-95583732022-10-14 Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules Solà, Miquel Bickelhaupt, F. Matthias J Chem Educ [Image: see text] Simple mathematical models can serve to reveal the essence of experimental phenomena and scientific concepts. The particle in a box (PIB), for example, is widely used in undergraduate programs to teach the quantum mechanical principles behind the UV–vis spectra of conjugated polyenes and polyynes. In this work, the particle on a ring (POR) and the PIB models are used to elucidate the concept of aromaticity in Introductory Chemistry courses. Thus, we explain the origin of the aromatic stabilization energy, Hückel’s rule, and Baird’s rule. Besides applications, the limitations of the POR and PIB models are also discussed. American Chemical Society and Division of Chemical Education, Inc. 2022-09-22 2022-10-11 /pmc/articles/PMC9558373/ /pubmed/36246423 http://dx.doi.org/10.1021/acs.jchemed.2c00523 Text en © 2022 The Authors. Published by American Chemical Society and Division of Chemical Education, Inc. https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Solà, Miquel
Bickelhaupt, F. Matthias
Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules
title Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules
title_full Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules
title_fullStr Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules
title_full_unstemmed Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules
title_short Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules
title_sort particle on a ring model for teaching the origin of the aromatic stabilization energy and the hückel and baird rules
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9558373/
https://www.ncbi.nlm.nih.gov/pubmed/36246423
http://dx.doi.org/10.1021/acs.jchemed.2c00523
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