A photoelectron spectroscopy study of the charge-induced π-electronic structural changes in α.ω.-diphenyltetradecaheptaene, a model molecule for polyacetylene

The π-electronic structural changes in diphenylpolyene, α,ω-di[henyltetradecaheptaene, or DP7, have been studied upon gradually doping with sodium Xu using X-ray and Ultraviolet Photoelectron Spectroscopy, XPS and UPS. The spectra are interpreted with the help of the results from Austin Model 1 (AM1) and Valence Effective Hamiltonian (VEH) quantum chemical calculations. The results of the doping with sodium can be discussed in terms of two confined solitons on the polyene part of the molecule, which results in two new energy levels in the originally forbidden energy gap.