CALCULATED AND MEASURED DOUBLE-IONIZATION ENERGIES OF 1,1-DIMETHYL ALLENE TO TRIPLET ELECTRONIC STATES OF THE DICATION

Double ionization of the 1,1-dimethyl allene molecule to triplet electronic states of the dication has been studied using theoretical and experimental methods. Although the calculated data indicate a high density of states, suitable groupings of calculated double-ionization energies to those states agree well with values measured by double-charge-transfer spectroscopy. This indicates that the theoretical predictions provide an accurate indication of the composition of the triplet-state manifold for the 1,1-dimethyl allene dication between 25.2 eV and 39.6 eV.