The Jahn–Teller distortion in the X2E″ state of sym-C6Cl3F +3 as determined from laser-induced fluorescence studies

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.