Abstract
An MC-LCAO-MO method was employed to study a static Jahn-Teller distortion in the ground state of the triphenylene mono-negative ion. An SCF type iterative calculation with CI was carried out for the ground state of the anion in both D3h and C2v molecular geometries to obtain most stable conformations. It was found that the anion in the C2v geometry is more stable than that in the D3h geometry. The calculated lower transition energies are in good agreement with observed values.
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