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Theoretical Study on First Hyperpolarizabilities of End-Capped Triply Branched Dendrimers
Yan-hua Wang,Kai Liu
Author NameAffiliationE-mail
Yan-hua Wang School of Sciences, Linyi University, Linyi 276005, China  
Kai Liu School of Sciences, Linyi University, Linyi 276005, China liukai@lyu.edu.cn 
Abstract:
A series of end-capped triply branched dendritic chromophores have been studied by means of density functional theory calculations. It is found that the second order nonlinear optical properties of the end-capped dendrimers are strongly dependent on the mutual orientations of the three chromophores, numbers of caps and the conjugation length of the chromophores. Large enhancement of the ˉrst hyperpolarizability can be obtained when dipole moments of three branches in the dendrimers are highly parallelized.
Key words:  Dendritic chromophore, Nonlinear optical, Hyperpolarizability
FundProject:
三枝加盖树状分子的一阶超极化率的理论研究
王彦华,刘凯*
摘要:
利用密度泛函理论计算了一系列三枝加盖树状发光分子的性质.发现加盖树状分子的二阶非线性光学性质和三支发色团的相对位置,所加盖子的数量,以及发色团的长度关系很大.当树状分子三枝的偶极矩平行度较高时,可以得到增强的一阶超极化率.
关键词:  树状发光分子,非线性光学,超极化率
DOI:10.1088/1674-0068/24/04/444-450
分类号: