Answers are grounded in this paper and cite their sources.
Molecular orbital theory is used to examine relative energies of low-lying electronic states of the ethynyl cation CCH+. A triplet 3ru is found to be the ground state at the highest level of theory with another triplet 3𝒥− only 2.4 kcal/mole higher in energy. The closed-shell 1𝒥+ state lies 59 kcal/mole above the ground state.
No takes yet. Share an insight, caveat, or question.
Krishnan et al. (1981) studied this question.
Synapse has enriched 10 related papers. Consider them for comparative context: