D-A型二噻吩并磷杂茂衍生物分子的双光子吸收性质  

Two-photon absorption properties of D-A dithienophospholes derivatives

作　　者：丁红娟[1] 王传奎[1] 

机构地区：[1]山东师范大学物理与电子科学学院,济南250014

出　　处：《原子与分子物理学报》2014年第4期545-549,共5页Journal of Atomic and Molecular Physics

基　　金：国家重点基础研究发展计划(2011CB808100);山东省自然科学基金(ZR2010AZ002)

摘　　要：在密度泛函理论理论水平上,采用响应理论方法计算了一系列2,6-donor-acceptor二噻吩并磷杂茂衍生物分子的单、双光子吸收性质.理论计算结果表明该系列分子都具有较大的双光子吸收截面,并且分子中心的磷原子无论被氧化还是金属配合,其双光子吸收截面几乎保持不变.此外,还考虑了溶剂效应对分子光学性质的影响,研究表明分子能级发生了溶剂化蓝移,并且分子的单光子和双光子吸收性质随着溶剂极性表现出非单调变化.The analytical response theory is used to explore the one-and two-photon absorption proper-ties of a series of 2,6-donor-acceptor dithienophospholes derivatives.The computational results show that these compounds are good two-photon absorption materials,and the two-photon features of the de-rivatives are found to remain almost unaltered either by oxidation or complexation.Moreover,the sol-vent effect is considered,showing that solvatochromic shift is blue shift and the one-and two-photon ab-sorptions appear a nonmonotonic variation with regard to the polarity of solvent.

关 键 词：单光子吸收 双光子吸收 响应理论方法 

分 类 号：O437.1[机械工程—光学工程]