摘要
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 ehromophores. Large enhancement of the first hyperpolarizability can be obtained when dipole moments of three branches in the dendrimers are highly parallelized.
基金
We thank Prof. Yi Luo, Jiirgen Heck, and Hans- Georg Kuball for constructive suggestions. This work was supported by the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry and the Natural Science Foundation of Shandong Province, China （No.Q2008A06）.
