The Jahn–Teller distortion in the X2E″ state of sym-C6Cl3F+3 as determined from laser-induced fluorescence studies
- 1 January 1981
- journal article
- Published by Royal Society of Chemistry (RSC) in Faraday Discussions of the Chemical Society
- Vol. 71, 175-180
- https://doi.org/10.1039/dc9817100175
Abstract
Both gas-phase and matrix laser-induced fluorescence studies of sym-C6CL3F3 + provide detailed information on the energy-level structure of the Jahn–Teller perturbed e′ vibrations in the ground electronic state. These experimental results are analysed in terms of a multi-mode Jahn–Teller theory to yield distortion constants, unperturbed oscillator frequencies, stabilization energies and distorted geometries. These results are combined with similar results for the symmetrical ions C6F3H3 +, C6Cl3H3 + and C6F6 + to reach some general conclusions about the quantitative nature of the Jahn–Teller distortion of benzenoid cations.Keywords
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