P,P',P''-triphenylnitrilotrimethylenetrisphosphinic acid | 60703-83-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: P,P',P''-triphenylnitrilotrimethylenetrisphosphinic acid
• 英文别名: nitrilo-tris(methylenephenylphosphinic) acid；[Nitrilotris(methylene)]tris[phenyl(phosphinic acid)]；[bis[[hydroxy(phenyl)phosphoryl]methyl]amino]methyl-phenylphosphinic acid
• CAS: 60703-83-5
• 化学式: C₂₁H₂₄NO₆P₃
• 分子量: 479.346
• InChiKey: GOUKBDOGILZXTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  吡啶 、 P,P',P''-triphenylnitrilotrimethylenetrisphosphinic acid 、 lead(II) acetate trihydrate 以 吡啶 为溶剂， 以74%的产率得到[Pb(II)(nitrilo-tris(methylenephenylphosphinato))]2*(pyridine)
  参考文献：
  名称：

  Complexation of nickel(II) and lead(II) cations with the tripodal nitrilo-tris(methylenephenylphosphinic) acid (H3L). X-ray crystal structure of the dimer [Ni(HL)(DMSO)]2·2DMSO

  摘要：

  A series of dimeric complexes have been isolated by the reaction of M(CH3COO)(2). xH(2)O (M-II = Ni, Pb) with nitrilo-tris-(methylenephenylphosphinic) acid (H3L) in dimethylsulfoxide or pyridine or water. A complete single crystal structure determination has been carried out on the nickel derivative, which displays a dimeric structure [Ni(HL)(DMSO)](2). 2DMSO. All the compounds have been characterized through magnetic measurements, thermogravimetric and calorimetric analyses. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00440-6

文献信息

• Complexes of the tripodal nitrilotrimethylenetrisphosphonic (H6L) and P,P′,P ″-triphenylnitrilotrimethylenetrisphosphinic (H3L°) acids with the copper(II) ion. Synthesis and characterization of [Hpy][Cu(H3L)(H2O)] and [Cu(HL°)(py)]2·2Me2CO†
  作者：Franco Cecconi、Carlo A. Ghilardi、Pablo A. Lorenzo Luis、Stefano Midollini、Annabella Orlandini、Dainis Dakternieks、Andrew Duthie、Sixto Dominguez、Elisabetta Berti、Alberto Vacca

  DOI：10.1039/b004576o

  日期：——

  The complexes [Hpy][Cu(H3L)(H2O)] 1 (L6− = nitrilotrimethylenetrisphosphonate) and [Cu(HL°)(py)]2·2Me2CO 2 [(L°)3− = P,P′,P″-triphenylnitrilotrismethylenetrisphosphinate)] have been isolated and characterized by X-ray crystallography, near IR-visible spectroscopy and magnetic measurements. The structure determination has shown the complexes to be constituted by monomeric and dimeric units respectively. In the monomer the metal atom is surrounded by the phosphonate ligand and a water molecule, with a geometry between a trigonal bipyramid and a square pyramid. The two copper atoms in the dimer are held together by an arm of the tripod ligand, with a pyridine molecule as additional ligand, and display octahedral geometry. The presence of monomeric and dimeric species in aqueous solutions of 1 and 2 has been shown by ESMS studies. The formation in water solution of the dimer [Cu(H3L)}2]2−, as a minor species, has been supported by potentiometric measurements, whereas only the monomeric anion [CuL°]− has been ascertained to be present. In general the ligand H3L° forms less stable copper(II) complexes than H6L. p

  已分离出[Hpy][Cu(H3L)(H2O)]1（L6â = nitrilotrimethylenetrisphosphonate）和[Cu(HL°)(py)]2Â-2Me2CO 2 [(L°)3âÂ=ÂP,Pâ²,Pâ³-triphenylnitrilotrismethylenetrisphosphinate)]复合物，并通过 X 射线晶体学、近红外-可见光谱和磁性测量对其进行了表征。结构测定结果表明，这些配合物分别由单体和二聚体单元构成。在单体中，金属原子被膦酸配体和一个水分子包围，几何形状介于三叉双锥和方形金字塔之间。二聚体中的两个铜原子由三脚架配体的一个臂固定在一起，另外还有一个吡啶分子作为配体，呈现八面体几何形状。ESMS 研究表明，1 和 2 的水溶液中存在单体和二聚体。水溶液中形成的二聚体[Cu(H3L)}2]2â是一个次要物种，已得到电位测量的支持，而只有单体阴离子[CuL°]â已被确定存在。一般来说，配体 H3L° 形成的铜（II）络合物不如 H6L 稳定。