Theoretical Studies on the Third-order Nonlinear Optical Properties and Two-photon Absorption of Stilbene Derivatives

• 来源期刊: 中国化学（英文版）
• 学科: 化学
• 年，卷（期）: 2004,（3）
• 页码范围: 243-251
• 页数: 9页
• 分类号: O6
• 语种: 英文

摘要

Different types of stilbene derivatives (D-π-D, A-π-A, D-π-A) were investigated with AM1, and specially, equilibrium geometries of symmetrical stilbene derivatives (D-π-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.