[Cd(o-phen)(1,4-HO3PC8H8PO3H)] | 1355962-86-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Cd(o-phen)(1,4-HO3PC8H8PO3H)]
• 英文别名: [Cd(o-phen)(1,4-HO₃PC₈H₈PO₃H)]；[Cd(1,10-phenanthroline)(p-xylene diphosphonic acid(-2H))]；[Cd(o-phenanthroline)(p-xylene diphosphonic acid(-2H))]；Cd(trans-p-xylenediphosphonate)(1,10-phenanthroline)；Cd(trans-H2BDPP)(phen)
• CAS: 1355962-86-5
• 化学式: C₈H₁₀O₆P₂*C₁₂H₈N₂*Cd
• 分子量: 556.73
• InChiKey: WIQGBBXGPMKALA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  146.5
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  对亚苯基二膦酸 、 1,10-菲罗啉 、 cadmium(II) sulfate*8/3H2O 在 NaF 作用下， 以 水 为溶剂， 以18%的产率得到[Cd(o-phen)(1,4-HO3PC8H8PO3H)]
  参考文献：
  名称：

  Hydrothermal syntheses, structures and characterizations of two luminescent cadmium(II) complexes with p-xylenediphosphonic acid and N-donor ligands

  摘要：

  Two novel cadmium diphosphonates [Cd(cis-H4BDPP)(2,2'-bipy)(2)]center dot(trans-H2BDPP)](n) (1) and [Cd(trans-H2BDPP)(phen)](n) (2) (H4BDPP=p-xylenediphosphonic acid, phen=1,10-phenanthroline, 2,2'-bipy=2,2'-bipyridine) were hydrothermally synthesized from p-xylenediphosphonic acid and CdSO4 center dot 3H(2)O with phen or 2,2'-bipy as second ligand components and characterized by means of elemental analyses, IR, TG analysis, luminescence spectroscopy and single crystal X-ray diffraction. Compound 1 consists of a novel one-dimensional (1D) sinusoidal [Cd(cis-H4BDPP)(2,2'-bipy)(2)] chains and trans-H2BDPP anions. Compound 2 possesses a three-dimensional architecture built from double zigzag -Cd-O-P-O-Cd-chains pillared by trans-p-xylylenediphosphonate ligands from four different directions. There are hexagonal channels running along the c-axis and the coordinated phen ligands suspend in the hexagonal channels. The results indicate that p-xylenediphosphonic acid can adopt varied coordination modes and conformations in the formation of the complexes and the influence of the N-donor ligands on the structure of the complexes is discussed. (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2011.11.043

文献信息

• Metal-organodiphosphonate chemistry: Hydrothermal syntheses and structures of Zn(II) and Cd(II) coordination polymers with xylyldiphosphonate ligands
  作者：Tiffany M. Smith、Diona Symester、Kathryn A. Perrin、Bruce S. Hudson、Jon Zubieta

  DOI：10.1016/j.ica.2013.12.003

  日期：2014.2

  (2·H2O), [M(o-phen)(1,3-HO3PC8H8PO3H)] (M = Zn (5·H2O), M = Cd (11), and [Zn(tpyprz)(1,2-HO3PC8H8PO3H)] (7), while the phases [M(bpy)2(1,4-H2O3PC8H8PO3H2)(1,4-HO3PC8H8PO3H)] (M = Zn (3) and Cd(9)) exhibited virtual layered structures constructed from M ( bpy ) 2 ( 1 , 4 - H 2 O 3 PC 8 H 8 PO 3 H 2 ) } n 2 n + chain hydrogen-bonded to the HO3PC8H8PO3H}2- charge compensating anions. The two-dimensional

  摘要在有机氮螯合辅助配体存在下，乙酸锌（II）二水合物或硝酸镉（II）四水合物与二甲苯基二膦酸异构体的水热反应提供了一系列（M（II）-有机氮螯合）/二甲苯基二膦酸酯家族的材料。观察到[Zn（H2O）（bpy）（1,2-HO3PC8H8PO3H）]（1），[Zn（bpy）（1,3- PC8H8PO3H）]· （2· ），[M （o-phen）（1,3- PC8H8PO3H）]（M = Zn（5· ），M = Cd（11）和[Zn（tpyprz）（1,2- PC8H8PO3H）]（7），而相[M（bpy）2（1,4- 3PC8H8PO3H2）（1,4- PC8H8PO3H）]（M = Zn（3）和Cd（9））表现出由M（bpy）2（1， 4-H 2 O 3 PC 8 H 8 PO 3 H 2）} n 2 n +氢键合到 PC8H8PO3H} 2-电荷补