不同类型二苯乙烯衍生物双光子吸收截面的理论研究  

Studies on Two-photon Absorption Cross-sections of Different Type Stilbene Derivatives

作　　者：任爱民[1] 封继康[1] 郭景富[2] 

机构地区：[1]吉林大学理论化学研究所, [2]东北师范大学物理系,

出　　处：《化学学报》2001年第4期508-515,共8页Acta Chimica Sinica

基　　金：国家自然科学基金

摘　　要：用AM1和INDO/CI理论方法,系统研究了不同类型二苯乙烯衍生物(D-π-D,A-π-A,D-π-A)的结构和电子光谱.在正确的UV-vis光谱基础上,预测了双光子吸收峰的位置.用SOS公式计算了三阶非线性光学系数及双光子吸收截面,并从微观上探讨了不同取代基对双光子吸收截面的影响.The geometry, electronic structures and electronic spectra of different type stilbene derivatives (D - pi - D, A - pi - A, D - pi - A) are systematically studied by AM1 and ENDO/CI methods. On the basis of correct UV - vis spectra, the position and strength of the two - photon absorption can be predicted. Nonlinear third - order optical susceptibilities and two - photon absorption cross - sections was calculated using a program of Sum - over - states expression compiled by the present authors. The influence of various substituents on two-photon absorption cross - sections are discussed micromechanically.

关 键 词：二苯乙烯衍生物 电子光谱 双光子吸收截面 结构 三阶非线性光学系数 

分 类 号：O625.12[理学—有机化学] O621.22[理学—化学]