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Crystal design of novel Piperazinum Isophthalate (PIP): Growth, Structural, Thermal, Spectral, Mechanical and Optical properties for NLO application
Journal of Molecular Structure ( IF 4.0 ) Pub Date : 2023-07-28 , DOI: 10.1016/j.molstruc.2023.136307
J. Priscilla , G.V. Vijayaraghavan , Paavai Era , M. Lakshmipriya

Novel organic single crystal Piperazinum Isophthalate (PIP) has been synthesized and grown by the slow evaporation solution growth technique. The structural analysis of the single crystal was assessed by the single crystal X-ray diffraction and from a thorough literature survey, it is confirmed that the structure is claims to be the reported for the first time. The FT-IR analysis is used to confirm the different vibrational modes present in the crystal. Utilizing Vicker's Microhardness tester, the mechanical behavior of the crystal was examined and its related constants were computed. Mechanical analysis reveals that the grown crystal exhibits Reverse Indentation Size Effect (RISE) and also found that it belongs to the soft material category with n = 8. The TG/DTA technique is used to analyze the thermal property of the grown crystal and found that PIP is thermally stable up to 271°C. The optical property of the PIP crystal is analyzed using the UV–Vis NIR Spectroscopy, it is observed that PIP has good transparency in the entire visible region with a cutoff wavelength of 281 nm. The Laser Damage Threshold (LDT) of the PIP single crystal was studied by the Q-switched Nd-YAG laser of the wavelength 532 nm and the computed LDT value is 7.3047 GW/cm2. The third order non-linear optical properties of the grown crystal were analyzed by Z - scan technique and the obtained results confirm high nonlinear susceptibility(X(3) = 1.2728× 10−7esu) with self-defousing nature. From the above discussion, we may infer that the grown PIP crystal will be a promising material for optoelectronic device fabrication.



中文翻译:

新型间苯二甲酸哌嗪 (PIP) 的晶体设计:NLO 应用的生长、结构、热、光谱、机械和光学特性

采用缓慢蒸发溶液生长技术合成并生长了新型有机单晶间苯二甲酸哌嗪(PIP)。通过单晶X射线衍射对单晶的结构分析进行了评估,并通过全面的文献调查,证实该结构据称是首次报道。FT-IR 分析用于确认晶体中存在的不同振动模式。利用维氏显微硬度计检查了晶体的力学行为并计算了其相关常数。力学分析表明,生长的晶体表现出反向压痕尺寸效应(RISE),并发现它属于软材料类别,具有n = 8. 使用TG/DTA技术分析生长晶体的热性能,发现PIP在高达271°C的温度下具有热稳定性。利用紫外-可见近红外光谱分析了PIP晶体的光学性质,观察到PIP在整个可见光区域具有良好的透明度,截止波长为281 nm。采用波长532 nm的调Q Nd-YAG激光器研究了PIP单晶的激光损伤阈值(LDT),计算得到LDT值为7.3047 GW/cm 2。采用Z扫描技术分析了生长晶体的三阶非线性光学特性,所得结果证实了其高非线性磁化率(X (3)  =1.2728)×10 −7 esu) 具有自爆炸性质。从上面的讨论中,我们可以推断,生长的 PIP 晶体将是一种有前途的光电器件制造材料。

更新日期:2023-08-02
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