Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules
Miquel Solà, F. Matthias Bickelhaupt
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.
Topics & Concepts
Ring (chemistry)Particle (ecology)Energy (signal processing)ChemistryMathematics educationEngineering physicsTheoretical physicsComputational chemistryPhysicsChemical physicsPsychologyOrganic chemistryQuantum mechanicsGeologyOceanographySynthesis and Properties of Aromatic CompoundsVarious Chemistry Research TopicsOrigins and Evolution of Life