Different types of stilbene derivatives (D-p-D, A-p-A, D-p-A) were investigated with AM1, and specially, equilibrium geometries of symmetrical stilbene derivatives (D-p-D) were studied using of PM3. With the same meth...Different types of stilbene derivatives (D-p-D, A-p-A, D-p-A) were investigated with AM1, and specially, equilibrium geometries of symmetrical stilbene derivatives (D-p-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.展开更多
基金Project supported by the National Natural Science Foundation of China (Nos. 20273023 90101026) and the Key Laboratory for Supramolecular Structure and Material of Jilin University.
文摘Different types of stilbene derivatives (D-p-D, A-p-A, D-p-A) were investigated with AM1, and specially, equilibrium geometries of symmetrical stilbene derivatives (D-p-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.
