Abstract
Large-scale open-shell coupled cluster calculations have been carried out for the two lowest 2 Π states of C 8 − and the electronic ground state of linear C 8. The calculated spectrum of the 2Π u ← X ̃ 2Π g transition is in good agreement with the recent neon matrix absorption spectrum of Freivogel, Fulara, Jacobi and Maier. The calculated adiabatic electron affinity of C 8 is 4.348 eV, in close agreement with the experimental value of 4.379 ± 0.006 eV. The 4.66 eV photoelectron spectrum of C 8 − is dominated by the adiabatic peak; the 1 0 1 and 3 0 1 transitions have relative intensities of 24% and 13%, respectively.
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