Jahn-Teller effect in the methane cation: Rovibronic structure and the geometric phase

H. J. Wörner, Renske van der Veen, F. Merkt

Research output: Contribution to journalArticle

Abstract

The rovibronic structure in the photoelectron spectrum of CH4 has been assigned in infrared-vacuum ultraviolet double-resonance experiments and analyzed using an effective tunneling-rotation Hamiltonian. Comparison of theoretical and experimental level structures of CH4+ reveals the effect of the geometric phase and establishes that at low energies, the structure and dynamics are governed by a large-amplitude tunneling motion connecting equivalent minima of C2v geometry. The rotationless ground state of CH4+ is a tunneling doublet of triply degenerate levels and the lowest level has rovibronic symmetry F2. The adiabatic ionization energy of CH4 is 101753.0(15)cm-1.

Original languageEnglish (US)
Article number173003
JournalPhysical review letters
Volume97
Issue number17
DOIs
StatePublished - Nov 6 2006
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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