| 157473-07-9

• CAS: 157473-07-9
• 化学式: H₁₂O₆Sm
• 分子量: 258.452
• InChiKey: MKJCXPCTBRPBIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  samarium(III) nitrate 、 1-(3'-coumarinyl)-3-(4''-dimethylaminophenyl)-2-propen-1-one 在 盐酸 、 氨 作用下， 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Sol–gel materials doped with 3-(3-(4-(dimethylamino)phenyl)propenoyl)-2H-chromen-2-one: Spectroscopic and structural elucidation

  摘要：

  Conventional and linear-polarized IR-spectroscopic tools based on reducing-difference procedures for non-polarized and polarized IR-spectra interpretation as well as orientation technique of solids (colloidal suspension in nematic liquid crystal) and UV/vis spectroscopy are applied for investigation of new sol-gel materials with potential optical application of doped organic dye 3-(3-(4-(dimethylamino)phenyl)propenoyl)-2H-chromen-2-one (K2) and Sm3+ ions. The results show that during aging of the monoliths Sm3+ forms an unstable complex with K2, [Sm(K2)(2)(H2O)(2)](NO3)(3), which transforms to [Sm(H2O)(6)](3+) one, typical for gel-SM3+ system. Quantum chemical ab initio and DFT calculations are reported with a view to support experimental IR-characteristic bands of the system studied. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2007.05.027