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本文通过量子化学半经验CNDO/2方法研究了宏观上具有非线性光学效应的二氯硫脲合镉(BTCC)和二氯氨基脲合镉(SCCC)络合物的分子结构,讨论了非线性光学效应与其微观结构的关系,认为分子畸变是非线性光学效应的微观结构的要求.
In this paper, the molecular structure of dichloro thiourea-cadmium (BTCC) and dichloro-semicarbazide-urea-cadmium (SCCC) complexes with macroscopic non-linear optical effects were studied by semi-empirical quantum chemical semi-empirical CNDO / The relationship between the optical effect and its microstructure, that the molecular distortion is the nonlinear optical effect of the microstructure requirements.