terbium(III)tris(1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-propanedionate)(1,10-phenanthroline) | 1372866-36-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: terbium(III)tris(1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-propanedionate)(1,10-phenanthroline)
• CAS: 1372866-36-8
• 化学式: C₅₁H₅₃N₁₄O₆Tb
• 分子量: 1117.0
• InChiKey: QWMWUSUTUCRYGY-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

• 作为反应物：
  描述：

  terbium(III)tris(1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-propanedionate)(1,10-phenanthroline) 、 乙腈 以 乙腈 为溶剂， 生成 terbium(III)tris(1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-propanedionate)(1,10-phenanthroline)*0.4(acetonitrile)
  参考文献：
  名称：

  Synthesis and crystal structure of the Tb(III) complex with 1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-propanedione and 1,10-phenanthroline

  摘要：

  The reaction of Tb(NO3)(3) center dot 6H(2)O with 1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-propanedi-one (HL) and 1,10-phenanthroline (Phen) in the presence of NaOH in a water-alcohol medium afforded the neutral complex [Tb(L)(3)(Phen)] (I). The unstable adduct [Tb(L)(3)(Phen)] center dot 0.4 MeCN (II), whose structure is studied by X-ray diffraction analysis, is obtained from an acetonitrile solution. The crystals of compound II at 100 K are triclinic, a = 11.2508(13), b = 11.4246(14), c = 22.486(3) , alpha = 96.522(2)A degrees, beta = 91.578(2)A degrees, gamma = 110.073(2)A degrees, V = 2690.3(5) (3), space group P (I) over bar, Z= 2, R = 0.0433. The complex is characterized by the green luminescence (lambda(exc) = 380 nm, lambda(em) = 550 nm).

  DOI：

  10.1134/s1070328412040100
• 作为产物：
  描述：

  1,10-菲罗啉 、 terbium(III) nitrate hexahydrate 、 1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione 在 aq. NaOH 作用下， 以 乙醇 、 水 为溶剂， 以56%的产率得到terbium(III)tris(1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-propanedionate)(1,10-phenanthroline)
  参考文献：
  名称：

  Synthesis and crystal structure of the Tb(III) complex with 1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-propanedione and 1,10-phenanthroline

  摘要：

  The reaction of Tb(NO3)(3) center dot 6H(2)O with 1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-propanedi-one (HL) and 1,10-phenanthroline (Phen) in the presence of NaOH in a water-alcohol medium afforded the neutral complex [Tb(L)(3)(Phen)] (I). The unstable adduct [Tb(L)(3)(Phen)] center dot 0.4 MeCN (II), whose structure is studied by X-ray diffraction analysis, is obtained from an acetonitrile solution. The crystals of compound II at 100 K are triclinic, a = 11.2508(13), b = 11.4246(14), c = 22.486(3) , alpha = 96.522(2)A degrees, beta = 91.578(2)A degrees, gamma = 110.073(2)A degrees, V = 2690.3(5) (3), space group P (I) over bar, Z= 2, R = 0.0433. The complex is characterized by the green luminescence (lambda(exc) = 380 nm, lambda(em) = 550 nm).

  DOI：

  10.1134/s1070328412040100