Combined Experimental And Computational Investigation Of The Double-Ionization Of (Ch3)(4)M Molecules (M=Si, Ge, Sn And Pb)

The double-ionization energies of four (CH3)(4)M molecules (M = Si, Ge, Sn and Pb) to triplet electronic states of their dications have been calculated using a modified MSX alpha method. The results are used to interpret the peak positions in experimental spectra obtained by the application of double-charge-transfer spectroscopy to the molecules. Although the density of states is high, the main features of the spectra correlate well with the calculated average double-ionization energies to selected groups of states.