The Pauli Principle: Effects on the Wave Function Seen through the Lens of Orbital Overlap

• Autores: David R. McMillin
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 95, Nº 9, 2018, págs. 1587-1591
• Idioma: inglés
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• Resumen

  • The Pauli exclusion principle is a key postulate of the quantum theory and informs much of what we know about matter. In terms of electronic structure, the lone, deceptively simple mathematical requirement is that the total wave function be antisymmetric with respect to the exchange of any two electrons. However, visualizing the effect on the electron distribution presents a formidable challenge to students because of the complexity and number of variables involved. Approaches to gaining insight developed here include a quantitative analysis of two-dimensional configuration spaces as well as a qualitative assessment of interference patterns. For 2px12py1 states as representative examples, the analysis reveals that the Pauli principle directs electrons with opposing spins to codistribute along axes passing through the nucleus in the plane of the occupied orbitals. On the other hand, electrons with the same spin are never simultaneously in the same place or on the same axis; instead, they preferentially distribute in perpendicular directions.