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Algebraic Method for Solving Multiple Degenerate Eigenvalues in [r]Triangulenes

[Image: see text] An algebraic procedure for overcoming the multiple degeneracy problem in eigenvalue (root) determination of the characteristic polynomial of 3-fold symmetrical molecular graphs is given. This leads to the tabulation of Hückel molecular orbital binding energy (E(π)) and eigenvalues...

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Detalles Bibliográficos
Autor principal: Dias, Jerry Ray
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10210180/
https://www.ncbi.nlm.nih.gov/pubmed/37251116
http://dx.doi.org/10.1021/acsomega.3c02488
Descripción
Sumario:[Image: see text] An algebraic procedure for overcoming the multiple degeneracy problem in eigenvalue (root) determination of the characteristic polynomial of 3-fold symmetrical molecular graphs is given. This leads to the tabulation of Hückel molecular orbital binding energy (E(π)) and eigenvalues (roots) for [2]triangulene to [9]trianguene for the first time. Triangulenes are the smallest possible condensed benzenoid polyradicals.