Electronic transition moments and optical absorption for trans-polyacetylene

Effect of Irradiation with Intense Laser Light on Trans‐Polyacetylene

“…If one assumes close-lying electronic energy levels for the photoproducts in order t o account for the experimental data shown in Fig. 6, this is in strong contrast to the starting assumption of the shortening of the conjugation length by laser irradiation, since the spacing of the electronic energy levels becomes larger with decreasing conjugation length [9]. Second, from a comparison with the energy levels calculated as a function of the number of the carbon double bond within the Hiickel model [9], the photoproduct must consist of the polyenes with more than seven double bonds to guarantee the existence of the electronic levels in the energy region investigated.…”

An effective hopping model for weakly interacting π systems: Electronic structure of stacked polyaromatic hydrocarbons

“…Polyacethylene represents a prototype of quasi‐1D conjugated systems, and has been studied in much detail both experimentally 15–19 and theoretically 14, 20–23. The application of one‐electron models including simple Hückel, Su–Schrieffer–Heeger (SSH) 20, and Longuet‐Higgins and Salem (LHS) 13 models were also successful 24–26. Although the role of interchain interactions has been also pointed out 1–4, 27, 28, a detailed description of the interchain hoppings is yet do be done.…”

Applied quantum chemistry

“…/ N -(CH = CH)"., -C = N Ôn the other hand, in the case of even polyenes, although the excitation energy decreases, it tends to a constant value (about 2.23 eV) in the limit of infinite chain length [1219]. This discrepancy between the simple Hiickel model and experiment has been explained in a satisfactory manner by supposing an alternation of bond lengths in the polyene, that is, different ß values had been considered for the double and for the single bonds in the Hiickel Hamiltonian [751,1219].…”