[Nd(N,N-dipyrrolidine-N''-trichloroacetylphosphortriamide(1-))3(2,2'-bipyrimidine)] | 1202645-70-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Nd(N,N-dipyrrolidine-N''-trichloroacetylphosphortriamide(1-))3(2,2'-bipyrimidine)]
• CAS: 1202645-70-2
• 化学式: C₃₈H₅₄Cl₉N₁₃NdO₆P₃
• 分子量: 1345.17
• InChiKey: QJRIALPBVAMHNK-UHFFFAOYSA-K

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：

  N,N'-bis(pyrrolidino)-N''-trichloroacetyl phosphoric triamide 、 neodymium(III) nitrate hexahydrate 、 2 2'-联嘧啶 在 sodium isopropylate 、 HC(OEt)3 作用下， 以 异丙醇 为溶剂， 以80%的产率得到[Nd(N,N-dipyrrolidine-N''-trichloroacetylphosphortriamide(1-))3(2,2'-bipyrimidine)]
  参考文献：
  名称：

  Synthesis and investigations of mixed-ligand lanthanide complexes with N,N′-dipyrrolidine-N′′-trichloracetylphosphortriamide, dimethyl-N-trichloracetylamidophosphate, 1,10-phenanthroline and 2,2′-bipyrimidine

  摘要：

  Coordination compounds with general formula [Ln(L(1))(3)phen], where Ln = Nd, Eu, Er, Yb, HL(1) = N,N'-dipyrrolidine-N ''-trichloracetylphosphortriamide, phen=1,10-phenanthroline; [Ln(L(1))(3)bpm], where Ln = La, Nd, Eu, Gd, Er, Y, bpm = 2,2'-bipyrimidine and [{Ln(L(2))(3)}(2)(mu-bpm)], where Ln = La, Nd, Eu, Gd, Er, Y, HL(2) = dimethyl-N-trichloracetylamidophosphate have been synthesized and characterized by means of IR and UV-Vis spectroscopy. Crystal structures of [Nd(L(1))(3)phen] (1), [Nd(L(1))(3)bpm] (2) and [{Nd(L(2))(3)}(2)(mu-bpm)] (3) have been determined. It was found, that in the deprotonated form the phosphoryl ligands (L(1))- and (L(2))- are coordinated to the neodymium atoms in a bidentate manner via the oxygen atoms of the phosphoryl and the carbonyl groups with formation of six-membered metallocycles. In the case of compounds 1 and 2 the 1,10-phenanthroline (or 2,2'-bipyrimidine) molecules are coordinated to the metals in a bidentate manner via the nitrogen atoms. In contrast 2,2'-bipyrimidine acts in the bidentate-bridge mode forming binuclear complex 3. Variable-temperature magnetic susceptibility measurements of 3 and [{Gd(L(2))(3)}(2)(mu-bpm)] (4) reveal a weak antiferromagnetic interaction between the two magnetic centres, whereas in the case of [{Eu(L(2))(3)}(2)(mu-bpm)] (5) the presence of spin-orbit coupling leads to a deviation from the Curie and Curie-Weiss laws. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.08.017