Tb(NO3)(2,5-dioxo-1,4-piperazinylbis(methylphosphonic)acid(2-)) | 1436384-33-6

• 英文名称: Tb(NO3)(2,5-dioxo-1,4-piperazinylbis(methylphosphonic)acid(2-))
• 英文别名: Tb(NO₃)(2,5-dioxo-1,4-piperazinylbis(methylphosphonic)acid(2-))
• CAS: 1436384-33-6
• 化学式: C₆H₁₀N₂O₈P₂*NO₃*Tb
• 分子量: 521.032
• InChiKey: FSFOFZOIYHBCBL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.58
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  227.54
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  terbium(III) nitrate hexahydrate 、 草甘膦 以 水 为溶剂， 反应 72.0h， 以84.51%的产率得到Tb(NO3)(2,5-dioxo-1,4-piperazinylbis(methylphosphonic)acid(2-))
  参考文献：
  名称：

  Photoluminescent 3D Lanthanide–Organic Frameworks Based on 2,5-Dioxo-1,4-piperazinylbis(methylphosphonic) Acid Formed via in Situ Cyclodehydration of Glyphosates

  摘要：

  Hydrothermal reactions of lanthanide nitrates with glyphosate have resulted three new isostructural 3D lanthanide organic frameworks, Ln(NO3)(H2L) [Ln = Eu (1), Tb (2), Gd (3); H4L = 2,5-dioxo-1,4-piperazinylbis-(methylphosphonic) acid], with good yields, where H4L as a new ligand was formed via in situ cyclodehydration of original ligand glyphosates during the hydrothermal reaction. The compounds were thoroughly characterized by IR, UV-vis, elemental analysis, single crystal X-ray diffraction analysis, powder X-ray diffraction analysis, and thermogravimetric/differential thermal analysis (TG-DTA). Three compounds display 3D 6,6-connected open frameworks with 4(13).6(2) topology possessing ID channels in which NO3- anions act as troglodytes by chelating Ln(3+) centers. The TG-DTA study of the compounds showed remarkable thermal stability up to 380 degrees C. Under room temperature UV-light irradiation, the Eu3+ and Tb3+ compounds showed the corresponding characteristic Ln(3+) intra 4f(1) emission peaks. The triplet energy level (21882 cm(-1)) of the ligand (H4L) was determined from the emission spectrum of its Gd3+ compound at 77 K. The emission lifetimes (1.54 ms of D-5(0) for compound 1 and 1.98 ms of D-5(4) for compound 2) and absolute emission quantum yields (10.1% for compound I and 5.9% for compound 2) were also determined.

  DOI：

  10.1021/ic302821w