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合成了二阶非线性光学材料 2 ,4 -二硝基苯酚 (DNP) ,测试了其二次谐波产生 (SHG)的强度和晶体结构。用 CNDO/S- CI程序计算了 DNP的分子二阶非线性光学系数β,结果表明 DNP的β值呈现明显的各向异性 ;引起分子二阶非线性效应的分子内电荷转移主要是从氨基指向邻位硝基。分析了 DNP的微观结构与宏观非线性光学倍频性能之间的关系。报道了 DNP晶体的生长 ,获得了尺寸为 2 1mm× 17mm× 7mm的优质 DNP晶体。
The second order nonlinear optical material 2,4 - dinitrophenol (DNP) was synthesized and the intensity and crystal structure of its second harmonic generation (SHG) were tested. The second-order nonlinear optical coefficient β of DNP was calculated by CNDO / S-CI program. The results showed that the DN value of DNP showed obvious anisotropy. The intramolecular charge transfer of DNP mainly drew from amino group Ortho-nitro. The relationship between the microscopic structure of DNP and the macroscopic nonlinear optical octave performance was analyzed. The growth of DNP crystals was reported and a good quality DNP crystal with a size of 21mm x 17mm x 7mm was obtained.