Teaching the jahn-teller theorem: A simple exercise that illustrates how the magnitude of distortion depends on the number of electrons and their occupation of the degenerate energy level
2013 (English)In: Journal of Chemical Education, ISSN 0021-9584, E-ISSN 1938-1328, Vol. 90, no 1, 63-69 p.Article in journal (Refereed) Published
Teaching the Jahn-Teller theorem offers several challenges. For many students, the first encounter comes in coordination chemistry, which can be difficult due to the already complicated nature of transition-metal complexes. Moreover, a deep understanding of the Jahn-Teller theorem requires that one is well acquainted with quantum mechanics and group theory. A comparatively simple way to illustrate the anatomy of the Jahn-Teller effect is presented here. Chemistry teachers are reminded of a sometimes forgotten aspect, namely, that the orbital degeneracy itself is not a sufficient criterion for the Jahn-Teller effect to appear, it is necessary that the occupation of the degenerate energy level is asymmetric. The article can serve as an introduction to the Jahn-Teller theorem, either as a lecture or as a computational exercise.
Place, publisher, year, edition, pages
2013. Vol. 90, no 1, 63-69 p.
Computational Chemistry, Graduate Education/Research, Molecular Properties/Structure, Organic Chemistry, Physical Chemistry, Quantum Chemistry, Textbooks/Reference Books, Theoretical Chemistry, Upper-Division Undergraduate
IdentifiersURN: urn:nbn:se:kth:diva-118107DOI: 10.1021/ed300295rISI: 000313929700011ScopusID: 2-s2.0-84872152335OAI: oai:DiVA.org:kth-118107DiVA: diva2:604796
QC 201302122013-02-122013-02-122013-02-21Bibliographically approved