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

Authors :
Solà M
Bickelhaupt FM
Source :
Journal of chemical education [J Chem Educ] 2022 Oct 11; Vol. 99 (10), pp. 3497-3501. Date of Electronic Publication: 2022 Sep 22.
Publication Year :
2022

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.<br />Competing Interests: The authors declare no competing financial interest.<br /> (© 2022 The Authors. Published by American Chemical Society and Division of Chemical Education, Inc.)

Details

Language :
English
ISSN :
0021-9584
Volume :
99
Issue :
10
Database :
MEDLINE
Journal :
Journal of chemical education
Publication Type :
Academic Journal
Accession number :
36246423
Full Text :
https://doi.org/10.1021/acs.jchemed.2c00523