Abstract
The ESR spectrum of the trimer cation radical C ± 3 generated by the partial electro-oxidation of coronene has been observed selectively in a solvent mixture of CH 2Cl 2 and CH 3NO 2 (ratio 3:1) at −100°C. The spectral analysis has shown that the ratio between the spin densities in the central molecule and those in the side molecule is 6:1. in contrast to the 2:1 ratio predicted by the HMO calculation. This increase of the ratio was rationalized in terms of a McLachlan-type calculation and the stabilization energy of the trimers was estimated to be 0.12 eV. This value agrees with the enthalpy of dissociation obtained experimentally from the temperature of the ESR spectrum.
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