L-phenylalanine*D-methionine | 102417-66-3

• 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*D-methionine
• 英文别名: LPDM；L-Phenylalanine-D-methionine (1/1)；(2R)-2-azaniumyl-4-methylsulfanylbutanoate;(2S)-2-azaniumyl-3-phenylpropanoate
• CAS: 102417-66-3
• 化学式: C₅H₁₁NO₂S*C₉H₁₁NO₂
• 分子量: 314.406
• InChiKey: GQYAUZAWKROOLF-ISITULPFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.31
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  161
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  D-蛋氨酸 、 L-苯丙氨酸 以 水 为溶剂， 反应 720.0h， 生成 L-phenylalanine*D-methionine
  参考文献：
  名称：

  Growth and characterization of an efficient new NLO single crystal L -phenylalanine D -methionine for frequency conversion and optoelectronic applications

  摘要：

  Optically active single crystals of L-phenylalanine D-methionine (LPDM) were grown by slow evaporation technique by co-crystallization of amino acids L-phenylalanine and D-methionine in water. The unit cell dimensions have been identified from single crystal X-ray diffraction technique. The existences of various hydrocarbyls were examined by FTIR and FT-Raman spectroscopy. The carbon and hydrogen environment of the grown crystals were analyzed by FT NMR spectrum. The optical absorption studies show that the crystal is transparent in the visible region with a lower cut-off wavelength of 259 nm and there by optical band gap energy E-g is calculated to be 5.35 eV. The Urbach energy, extinction coefficient, reflectance were calculated from UV-absorption data. Further, the thermal stability and accurate melting point has been investigated by TG/DSC techniques. The Kurtz powder SHG was confirmed using Nd: YAG laser with fundamental wavelength of 1064 nm. The dielectric behavior of the specimen has been determined for various temperatures (313 K, 333 K, 353 K, 373 K) at different frequencies. Fluorescence study and the time resolved decay calculation was also performed for the LPDM crystal. Optical nonlinear susceptibility was measured in LPDM and the real and imaginary part of chi(3) was evaluated by Z-scan technique using open and closed apertures.

  DOI：

  10.1016/j.physb.2017.08.037