非线性光学晶体材料中的π共轭电子基团及其协同效应

共轭π电子阴离子基团，如硼酸盐中的BO3平面三角形和类苯环的B3O6单元，是一类重要的具有非线性光学活性的结构基元。本项目拟采用两种共轭基元复合的策略来设计合成性能优越的新型二阶非线性光学材料：1）将BO3、CO3和NO3复合到同一化合物中，系统研究硼酸-硝酸盐、 硼酸碳酸盐及碳酸-硝酸盐混阴离子化合物；2）将与B3O6单元有类似结构的有机小分子，如三聚氰胺、三聚氰酸等，引入到硼酸/硝酸/碳酸盐中, 探索无机-有机杂化非线性光学材料。本项目预期成果为：a）总结不同共轭π电子阴离子基团复合体系化合物的结构组装规律，揭示不同共轭π电子阴离子基团的协同NLO效应，为非线性光学材料的设计提供新的思路；b）设计合成几种具有应用价值的新型非线性光学晶体材料。

Borate crystals with π-conjugated units such as BO3 planar triangle or benzene-like B3O6 unit usually exhibit excellent SHG properties. In this project, we will design new SHG materials based on two types of π-conjugated units: 1) we will systematically explore borate-nitrates, borate carbonates and carbonate-nitrates ; 2) we will introduce organic molecules with π-conjugated units similar to B3O6 unit such as cyanuric acid, melamine, etc into the metal borates/carbonates/nitrates to obtain various types inorganic-organic hybrid NLO crystals. The outcomes of this research will be: a) to summarize the structural assemble rules for those compounds with two types of π-conjugated units and uncover the nature of the synergistic NLO effect between two types of π-conjugated units in a same material; 2) to design and synthsize several candidates of new SHG crystals for further studies and future applications.