Details

Autor(en) / Beteiligte

• Solà, Miquel
• Bickelhaupt, F. Matthias

Titel

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

Ist Teil von

• Journal of chemical education, 2022-10, Vol.99 (10), p.3497-3501

Ort / Verlag

Easton: American Chemical Society

Erscheinungsjahr

2022

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• 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.