Chemical communications | 2021

Exactly solvable 1D model explains the low-energy vibrational level structure of protonated methane.

 
 
 

Abstract


A new one-dimensional model is proposed for the low-energy vibrational quantum dynamics of CH5+ based on the motion of an effective particle confined to a 60-vertex graph Γ60 with a single edge length parameter. Within this model, the quantum states of CH5+ are obtained in analytic form and are related to combinatorial properties of Γ60. The bipartite structure of Γ60 gives a simple explanation for curious symmetries observed in numerically exact variational calculations on CH5+.

Volume None
Pages None
DOI 10.1039/d1cc01214b
Language English
Journal Chemical communications

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