L-threoninium picrate | 6028-27-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: L-threoninium picrate
• 英文别名: picric acid ; (2S:3R)-2-amino-3-hydroxy-butyric acid-picrate；L_S-Threonin; Picrat；Picrinsaeure; (2S:3R)-2-Amino-3-hydroxy-buttersaeure-picrat；L₈-Threonin-picrat；(2S,3R)-2-amino-3-hydroxybutanoic acid;2,4,6-trinitrophenol
• CAS: 6028-27-9
• 化学式: C₄H₉NO₃*C₆H₃N₃O₇
• 分子量: 348.226
• InChiKey: BLJJPOHZOVBMLE-RCROYASPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  241
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  L-苏氨酸 、 苦味酸 以 水 为溶剂， 反应 3.0h， 生成 L-threoninium picrate
  参考文献：
  名称：

  Key aspects ofl-threoninium picrate single crystal: an excellent organic nonlinear optical material with a high laser-induced damage threshold

  摘要：

  最近的趋势集中在非线性光学材料的使用上，因为它们在光通信和交换应用的前沿领域的需求不断增加。在目前的L-苏氨酸苦味酸单晶工作中，使用传统的缓慢蒸发溶液技术生长了一种用于非线性光学应用的优异材料，以满足光子学行业日益增长的需求。采用粉末X射线衍射分析了所生长晶体的晶格参数，发现其晶系为单斜晶系，空间群为P21。使用霍尔-威廉姆森关系计算生长晶体晶格中的应变。使用高分辨率X射线衍射技术评估所生长的晶体的晶体完美性，并观察到晶体的质量相当好。使用紫外-可见光谱进行光传输分析和带隙评估。还测量了该晶体的激光损伤阈值，发现该阈值高于大多数报道的有机单晶。使用改进的通道光谱法评估晶体的光学均匀性和双折射。使用光热释电技术检查生长样本的热行为。此外，使用纳米压痕技术测量了其各种机械性能，如硬度、刚度、杨氏模量。

  DOI：

  10.1039/c4ra09410g

文献信息

• Structural, spectroscopic and nonlinear optical studies on a new efficient organic donor–acceptor crystal for second harmonic generation: l-Threoninium picrate
  作者：S. Natarajan、M. Umamaheswaran、J. Kalyana Sundar、J. Suresh、S.A. Martin Britto Dhas

  DOI：10.1016/j.saa.2010.04.044

  日期：2010.9

  A new and efficient organic nonlinear optical (NLO) crystal from the amino acid family, viz., L-threoninium picrate (LTHP), has been grown by solvent evaporation technique from aqueous solution. The structure of LTHP was elucidated using single crystal X-ray diffraction data. The compound crystallized in the non-centrosymmetric space group P2(1) and the unit cell contains two L-threoninium cations and two picrate anions. The backbone conformation angles Psi(l) and Psi(2) are in cis and trans configurations for both the picrate and the threoninium residues. An intra-molecular hydrogen bond between the amine N atom and the nearby oxygen atom, viz., N1-H1B center dot center dot center dot O3 is observed, with a graph set motif R-1(1) (5). The second harmonic generation (SHG) efficiency of this material was measured using Kurtz and Perry method and found to be about 43 times that of standard potassium dihydrogen phosphate (KDP) crystals. Fourier transform infrared (FTIR) and ultraviloet-visible-near infrared spectral studies were also carried out. The details are discussed. (c) 2010 Elsevier B.V. All rights reserved.
• US3962416A
  申请人：——

  公开号：US3962416A

  公开（公告）日：1976-06-08
• Key aspects of<scp>l</scp>-threoninium picrate single crystal: an excellent organic nonlinear optical material with a high laser-induced damage threshold
  作者：Anuj Krishna、N. Vijayan、Shashikant Gupta、Kanika Thukral、V. Jayaramakrishnan、Budhendra Singh、J. Philip、Subhasis Das、K. K. Maurya、G. Bhagavannarayana

  DOI：10.1039/c4ra09410g

  日期：——

  Recent trends focuses on the usage of nonlinear optical materials owing to their increasing demand in frontier areas of optical communication and switching applications. In the present work single crystal of L-threoninium picrate, an excellent material for nonlinear optical applications was grown using conventional slow evaporation solution technique to meet the increasing demand of photonics industry. The lattice parameters of the grown crystal were analysed by using powder X-ray diffraction, and it was found that it crystallised in monoclinic system with space group P21. The strain in the lattice of the grown crystal was calculated using Hall–Williamson relation. Crystalline perfection of the grown crystal was assessed using high resolution X-ray diffraction technique and observed that quality of crystal was fairly good. Optical transmission analysis and band gap evaluation were performed using UV-Vis spectroscopy. Laser damage threshold value for the crystal was also measured and was found to be higher than most of reported organic single crystals. Optical homogeneity of the crystal and birefringence was evaluated using modified channel spectrum method. Thermal behaviour of the grown specimen was examined by using photopyroelectric technique. Further its various mechanical properties, such as hardness, stiffness, young's modulus, were measured using nanoindentation technique.

  最近的趋势集中在非线性光学材料的使用上，因为它们在光通信和交换应用的前沿领域的需求不断增加。在目前的L-苏氨酸苦味酸单晶工作中，使用传统的缓慢蒸发溶液技术生长了一种用于非线性光学应用的优异材料，以满足光子学行业日益增长的需求。采用粉末X射线衍射分析了所生长晶体的晶格参数，发现其晶系为单斜晶系，空间群为P21。使用霍尔-威廉姆森关系计算生长晶体晶格中的应变。使用高分辨率X射线衍射技术评估所生长的晶体的晶体完美性，并观察到晶体的质量相当好。使用紫外-可见光谱进行光传输分析和带隙评估。还测量了该晶体的激光损伤阈值，发现该阈值高于大多数报道的有机单晶。使用改进的通道光谱法评估晶体的光学均匀性和双折射。使用光热释电技术检查生长样本的热行为。此外，使用纳米压痕技术测量了其各种机械性能，如硬度、刚度、杨氏模量。