The Jahn-Teller effect in C6 F6+

Trevor J. Sears, Terry A. Miller, V. E. Bondybey

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60 Scopus citations

Abstract

Recent results from the laser spectroscopy of C6 F 6+ are collected to derive the positions of ∼15 Jahn-Teller active vibronic levels of the four e2g vibrational modes of the ground X̃ 2E1g state. Intensity information is also collected for a number of transitions, both in absorption and emission, involving these modes. The data are analyzed by a model including linear and quadratic Jahn-Teller coupling, and coupling among all four of these active e2g modes. The positions of these levels are predicted by the eigenvalues, and the transition intensities by the eigenvectors, of matrices of order ∼7000×7000. Quantitative agreement is obtained for both frequencies and intensities, thereby determining unperturbed oscillator frequencies, distortion constants, and stabilization energies for all the possible Jahn-Teller active modes of C6F6+. Combination of these results with a normal coordinate analysis gives the distorted geometry of the ion at the minimum of its potential function.

Original languageEnglish
Pages (from-to)3240-3248
Number of pages9
JournalJournal of Chemical Physics
Volume74
Issue number6
DOIs
StatePublished - 1981
Externally publishedYes

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