2.4─二硝基苯胺衍生物倍频性能与晶体二次极化强度方均值的关系

The Relationship between the Frequency Doubling Property of 2.4-Dinitroaniline Derivative and the Mean Square of Unit Second Order Polarizability of Crystal

合成了一系列２．４－二硝基苯丙氨酸的有机盐化合物，从中筛选出两种倍频性能优良的晶体ＰＡＰ和ＮａＡＰ·ＨＡＰ，它们的晶体粉末二次谐波强度分别为ＫＤＰ的１００ 倍和５倍，应用Ｘ射线衍射及ＮＭＲ等谱学手段测定了ＰＡＰ和ＮａＡＰ·ＨＡＰ的晶体结构，同时应用单位二次极化强度的方均值Ｐ０（２ω）和空间因子Ｇ，较好地阐述了该同系物晶体的倍频性能与晶体结构之间的关系，说明主要倍频分子碎片２．４－二硝基苯胺在空间的取向是决定这类化合物倍频性能的主要因素，从而证实了有机酸成盐也是晶体结构优化的一条可行途径。

A series of N-(2.4-dinitrophenyl) aminopropionate salt compounds has been synthesized, screen out two organic crystals PAP and NaAP. HAP with excellent frequency doubling property, and their second-harmonic intensity is 100, and 5.0 times as large as that of KDP, respectively. The crystal structure of PAP and NaAP. HAP has been determined by means of X-ray diffraction and NMR spectrogram. Simultaneously, bases on the mean square of unit second order polarizability P0 (2ω)and the special factor G of crystal, the rela- tion between the frequency doubling properties and the crystal structure in the homologue crystal is fairly expounded. It is illustrated that the orientation of the main frequency doubling molecular group 2.4-dinitroaniline determines the frequency doubling property of the corre- sponding compounds. It shows that transforming organic acid compound into organic salt compoud may be one of the valid ways of optimizing crystal structure.