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Keywords:

  • stilbene derivative;
  • electronic spectrum;
  • two-photon absorption cross-section

Abstract

Different types of stilbene derivatives (D--D, A--A, D--A) were investigated with AM1, and specially, equilibrium geometries of symmetrical stilbene derivatives (D--D) were studied using of PM3. With the same method INDO/CI, the UV-vis spectra were explored and the position and strength of the two-photon absorption were predicated by Sum-Over-States expression. The relationships of the structures, spectra and nonlinear optical properties have been examined. The influence of various substituents on two photon absorption cross-sections was discussed micromechanically.