Nonlinear optical properties of conjugated oligomers: a simplemodel for length dependence and conformation

摘要

In conclusion, we have shown that resonant tunneling phenomenanalone can account for the length dependence of the optical properties ofnconjugated systems. In addition, we have quantitatively studied theneffect of a twist in the conjugated chain by using a very simplenrelationship between the spacing of the minima in the potential profilenand the dihedral angle between the tilted p_x orbitals. Thenresults on the biphenyl molecule are in good agreement with thenexperimental data. The very simple parametrisation of the model makes itna powerful tool for the estimation of the optimum length of newlyndesigned conjugated molecules