Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 3497-3501 |
| Number of pages | 5 |
| Journal | Journal of Chemical Education |
| Volume | 99 |
| Issue number | 10 |
| Early online date | 22 Sept 2022 |
| DOIs | |
| Publication status | Published - 11 Oct 2022 |
Bibliographical note
Funding Information:The authors thank the Spanish Ministerio de Ciencia e Innovación for Project PID2020-13711GB-I00, the Generalitat de Catalunya for Project 2017SGR39, The Netherlands Organization for Scientific Research (NWO), and the Holland Research School of Molecular Chemistry (HRSMC) for a fellowship to M.S. for visiting the TheoCheM group at Vrije Universiteit Amsterdam.
Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
Funding
The authors thank the Spanish Ministerio de Ciencia e Innovación for Project PID2020-13711GB-I00, the Generalitat de Catalunya for Project 2017SGR39, The Netherlands Organization for Scientific Research (NWO), and the Holland Research School of Molecular Chemistry (HRSMC) for a fellowship to M.S. for visiting the TheoCheM group at Vrije Universiteit Amsterdam.
Keywords
- Chemical Concepts
- Introductory Chemistry
- Organic Chemistry
- Physical Chemistry
- Quantum Chemistry