L-phenylalanine benzoic acid salt | 876953-88-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: L-phenylalanine benzoic acid salt
• CAS: 876953-88-7
• 化学式: C₇H₆O₂*C₉H₁₁NO₂
• 分子量: 287.315
• InChiKey: DMHJNBGRBYCLLI-QRPNPIFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  100.62
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  L-苯丙氨酸 、 苯甲酸 以 水 为溶剂， 生成 L-phenylalanine benzoic acid salt
  参考文献：
  名称：

  通过溶液生长技术对新型有机非线性光学晶体进行合成，结构，光学，热和介电研究。

  摘要：

  通过溶剂蒸发技术成功地从水溶液中生长出L-苯丙氨酸-苯甲酸（LPBA）单晶。通过重结晶的方法提高了晶体的纯度。XRD分析证实该晶体属于具有非中心对称空间群P21的单斜晶系。通过FT-NMR技术建立了化合物的化学结构。通过傅立叶变换红外分析（FT-IR）定性估计官能团的存在。紫外可见光谱分析表明，该晶体在254 nm处具有较低的UV截止值，并且在很宽的范围内具有非常好的90％的透明度。光学带隙估计为6.91 eV。通过TGA / DTA分析研究了热行为。发现二次谐波生成（SHG）效率为0。是KDP值的56倍。还首次研究了样品的介电性能。

  DOI：

  10.1016/j.saa.2013.01.012

文献信息

• Growth, thermal, dielectric and mechanical properties of L-phenylalanine–benzoic acid: A nonlinear optical single crystal
  作者：S. Tamilselvan、M. Vimalan、I. Vetha Potheher、S. Rajasekar、R. Jeyasekaran、M. Antony Arockiaraj、J. Madhavan

  DOI：10.1016/j.saa.2013.05.017

  日期：2013.10

  An efficient amino acid family nonlinear optical single crystal L-phenylalanine-benzoic acid (LPB) was conveniently grown by slow evaporation technique at room temperature. The crystal system and the lattice parameters were analyzed by single crystal X-ray diffraction studies. The grown crystal has excellent transmission in the entire visible region and its lower cut-off wavelength was found to be 248 nm. The SHG efficiency of the grown crystal was found to be 1.6 times higher than that of KDP crystal. The Laser damage threshold value of LPB has been found to be 6.5 GW/cm(2). The sample was thermally stable up to 134 degrees C. Microhardness, dielectric and AC/DC conductivity measurements were made along (001) plane and reported for the first time. Microhardness studies revealed that the sample belongs to hard nature. Frequency dependent dielectric constant was measured for different temperatures and found maximum dielectric constant of 14 for 363 K. Photoconductivity studies of LPB divulged its negative photoconducting nature. (C) 2013 Elsevier B.V. All rights reserved.