A new promising NLO material 1-(4-methoxyphenyl)-3-(4-N, N dimethyl amino phenyl)-2-propen-1-one (DAMO) was synthesized and high-quality crystal was grown by slow evaporation technique. The crystal structure was revealed by single crystal XRD scan, and all the functional groups of titled crystal were confirmed by FT-IR and ¹H NMR spectroscopy. The thermal properties, dielectric properties, optical properties were carried out from the sample, and the experimental data were analyzed systematically. The surface morphology of grown crystal was studied through SEM and AFM images. The SHG efficiency was confirmed by Kurtz-Perry powder technique, which shows that DAMO was 42.71 times that of KDP crystal. In addition, the HOMO–LUMO energy separation value was also theoretically calculated by Gaussian 09 package.

合成了一种新的有前途的NLO材料1-（4-甲氧基苯基）-3-（4-N，N-二甲基氨基苯基）-2-丙烯-1-酮（DAMO），并通过缓慢蒸发技术生长了高质量的晶体。通过单晶XRD扫描揭示晶体结构，并通过FT-IR和¹ H NMR光谱确认标题晶体的所有官能团。对样品进行了热性能，介电性能，光学性能的测试，并对实验数据进行了系统的分析。通过SEM和AFM图像研究了生长晶体的表面形态。通过Kurtz-Perry粉末技术证实了SHG效率，表明DAMO是KDP晶体的42.71倍。另外，HOMO-LUMO能量分离值也可以通过高斯09软件包在理论上进行计算。