praseodymium malonate hexahydrate | 16040-77-0

• 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: praseodymium malonate hexahydrate
• 英文别名: praseodymium malonate * 6 H2O；PMH；malonic acid ; dipraseodymium (III)-compound；[Pr2(malonic acid-2H)3(H2O)6]n；[Pr2(mal)3(H2O)6]n；Malonsaeure; Dipraseodym(III)-Verbindung
• CAS: 16040-77-0；20888-38-4
• 化学式: 3C₃H₂O₄*6H₂O*2Pr
• 分子量: 696.047
• InChiKey: YHWKAMBPGQHXNA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.95
• 重原子数：
  9.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  111.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  praseodymium malonate hexahydrate 以 neat (no solvent) 为溶剂， 生成 praseodymium(III) oxide
  参考文献：
  名称：

  Structural studies on praseodymium malonate hydrate

  摘要：

  The title compound (Pr-2(C3H2O4)(3).6H(2)O) was investigated by X-ray studies. It crystallises in the monoclinic space group C2/c with cell parameters a = 17.260(7) Angstrom, b = 12.423(5) Angstrom, c = 11.238(4) Angstrom, Z = 4 and V = 1911.58(13) Angstrom(3). The compound forms a layer-type polymeric structure. The layers are formed by praseodymium and one independent malonate group, giving a three-dimensional framework structure. It is stabilized by intermolecular hydrogen bonds. The thermal dehydration of the compound was investigated by TGA measurements. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2003.08.001
• 作为产物：
  描述：

  氯化镨 、 sodium malonate 以 水 为溶剂， 生成 praseodymium malonate hexahydrate
  参考文献：
  名称：

  Influences of the Lanthanoid Contraction on the Thermal Dehydration Reactions of Lanthanoid(III) Malonate Hydrates

  摘要：

  通过在常规条件和恒定低压水蒸气氛围中以超慢加热速率下的热重分析，研究了镧系(III)丙二酸盐水合物Ln2mal3·nH2O（Ln=Ce–Lu；mal=CH2(COO)2；n=6对应Ce–Eu，n=8对应Gd–Lu）的热脱水反应。后者的条件特别有助于检测新中间水合物的形成，并准确确定脱水温度。研究结果的主要特征可通过考虑镧系收缩效应得到合理的解释。

  DOI：

  10.1246/bcsj.55.1845

文献信息

• Crystallographic, optical and dielectric properties of gel grown praseodymium malonate single crystals
  作者：Nazir Ahmad、M. M. Ahmad、P. N. Kotru

  DOI：10.1039/c5ra09502f

  日期：——

  Single crystals of praseodymium malonate hexahydrate are grown by gel encapsulation technique.

  通过凝胶封装技术生长出六水合丙二酸镨的单晶体。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sc: MVol.D5, 1.2.2.2, page 155 - 163
  作者：

  DOI：——

  日期：——
• Hansson, E., Acta Chemica Scandinavica (1947), 1973, vol. 27, p. 2441 - 2454
  作者：Hansson, E.

  DOI：——

  日期：——
• Synthesis, crystal structures and spectroscopic studies of praseodymium(III) malonate complexes
  作者：Konstantina E. Chrysomallidou、Spyros P. Perlepes、Aris Terzis、Catherine P. Raptopoulou

  DOI：10.1016/j.poly.2010.08.020

  日期：2010.10

  Reactions of malonic acid (H(2)mal) with PrCl3 center dot 6H(2)O afforded the known complex [Pr-2(mal)(3)(H2O)(6)](n) (1), and compounds [Pr-2(mal)(3)(H2O)(6)](n)center dot 2nH(2)O (2 center dot 2nH(2)O). [PrCl(mal)(H2O)(3)](n)center dot 0.5nH(2)O (3 center dot 0.5nH(2)O) and [Pr(mal)(Hmal)(H2O)(3)](n)center dot nH(2)O (4 center dot nH(2)O) using various reaction ratios, reaction media (H2O, MeOH) and pH values. Analogous reactions with CeCl3 center dot 7H(2)O afforded compounds [Ce-2(mal)(3)(H2O)(6)](n) (5), [CeCl(mal)(H2O)(3)](n)center dot nH(2)O (6 center dot nH(2)O) and [Ce(mal)(Hmal)(H2O)(3)](n)center dot nH(2)O (7 center dot nH(2)O). Compounds 2 center dot 2nH(2)O and 3 center dot 0.5nH(2)O were characterized by X-ray crystallography, and 4-7 by microanalytical and spectroscopic data. The malonate(-2) ligand adopts three different coordination modes in the structures of 1-3, i.e., the mu(2)-kappa O:kappa O':kappa O '':kappa O''' and the mu(4)-kappa O-2:kappa O':kappa O-2 '':kappa O''' in 1 and 2 leading to a 3D network structure, and the mu(3)-kappa O-2:kappa O':kappa O-2 '':kappa O''' in 3 promoting an 1D structure. The thermal decomposition of 1 and 3 center dot 0.5nH(2)O was monitored by TG/DTA and TG/DTG measurements. The structural features of 1-3 are discussed in terms of known malonato(-2) Ln(III) and Ca-II complexes. The bioinorganic chemistry relevance of our results is discussed. (C) 2010 Elsevier Ltd. All rights reserved.