Symmetry Breaking Pathways in Jahn-Teller Distorted C60ⁿ⁺ Cations — E8 Intelligence Research
Year: 2026
Type: preprint
Abstract: FINDING: Jahn-Teller distortion in C60⁽ⁿ⁺⁾ breaks icosahedral (I_h) symmetry along specific irreducible representation (irrep) pathways, yielding static minima classified by group-theoretic descent chains (I_h → D5d, D3d, etc.), with energy surfaces governed by electron-phonon coupling constants and Coulomb exchange parameters. | MATH: The adiabatic potential energy surface minima are classified by the descent chain I_h ⊃ D5d ⊃ D2h (or I_h ⊃ D3d ⊃ C2h). The Jahn-Teller active modes transform as the H_g (5-dimensional) and G_g (4-dimensional) irreps of I_h. The linear coupling Hamiltonian is H_JT = Σ_γ (V_H Q_Hγ + V_G Q_Gγ) ⊗ τ_γ, where τ_γ are the matrices of the degenerate electronic state (e.g., H_u for C60⁺). The static distortion energy gain is ΔE_JT = (V_H²/2K_H) + (V_G²/2K_G), with K_H, K_G being the force constants. For C60⁺ (H_u state), the H_g ⊗ H_u problem yields a Mexican-hat-like trough with warping, giving minima at D5d (pentagonal) or D3d (trigonal) geometries. The warpin Author: Andrew Stewart Caldin, Independent Researcher, UK. Part of the E8 Intelligence Research series. Platform: e8intelligence.com
Author: Caldin, Andrew Stewart
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7219677682
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