Abstract

The carbon tetramer dication C42+ is studied by multireference configuration-interaction calculations. Equilibrium geometries of C42+ are identified and their stability properties discussed. Although for the tetramer ion the negative dissociation energy −De turns out to be smaller than for the dications Cn2+ with n=2,3, thermochemical stability is not yet achieved. The size of the involved potential barriers, however, entails a high degree of metastability for C42+.

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