trans,anti-bis(1-aminoethane-1,1-diyldiphosphonato)palladium(II) | 1357360-11-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: trans,anti-bis(1-aminoethane-1,1-diyldiphosphonato)palladium(II)
• 英文别名: bis(1-aminoethane-1,1-diyldiphosphonato)palladium(II)；[Pd(1-aminoethylidene-1,1-diphosphonic acid(-2H))2](2-)
• CAS: 1357360-11-2；1357360-12-3；1357360-14-5；1357360-15-6
• 化学式: C₄H₁₄N₂O₁₂P₄Pd
• 分子量: 512.476
• InChiKey: WEOMRGKQUCGRNR-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  potassium tetrachloropalladate(II) 、 (1-氨基亚乙基)二膦酸 以 not given 为溶剂， 生成 trans,anti-bis(1-aminoethane-1,1-diyldiphosphonato)palladium(II)
  参考文献：
  名称：

  Different ways of coordination for aminoalkyldiphosphonic acids in palladium(II) complexes

  摘要：

  Complexation in the systems K2PdCl4-3-amino-1-hydroxypropane-1,1-diyldiphosphonic acid (AHPDP) and K2PdCl4-1-aminoethane-1,1-diyldiphosphonic acid (AEDP) was studied using pH-potentiometry, spectrophotometry, and P-31 NMR spectroscopy. It was found that AHPDP in equimolar complexes is coordinated by Pd(II) in a bidentate fashion through two phosphonate O atoms forming a six-membered chelate [O,O]-ring, while AEDP is coordinated through the N atom and one phosphonate O atom forming a five-membered chelate [N,O]-ring. In 1: 2 complexes of Pd(II) with AEDP, the second AEDP molecule is coordinated by Pd(II) in a similar way to form a second five-membered [N,O]-ring. The latter complexes show cis-trans and syn-anti isomerism. The structural characteristics of the corresponding isomers were calculated at the DFT level of theory and their stabilities were compared.

  DOI：

  10.1134/s1070328411120025

文献信息

• Interaction of K2PdCl4 with aminoalkyldiphosphonic acids
  作者：A. N. Kozachkova、A. V. Dudko、N. V. Tsaryk、V. V. Trachevskii、A. B. Rozhenko、V. I. Pekhn’o

  DOI：10.1134/s0036023611040140

  日期：2011.9

  Complexing of K2PdCl4 with 3-amino-1-hydroxypropylidene-1,1-diphosphonic acid (AHPDP) and 1-aminoethylidene-1,1-diphosphonic acid (AEDP) was studied by pH titration, spectrophotometry, and P-31 NMR spectroscopy using metal to ligand mole ratios of 1 : 1 and 1 : 2. In equimolar complexes, AHPDP is coordinated to palladium(II) via two phosphonic oxygen atoms, whereas AEDP is coordinated via the amino nitrogen atom and a phosphonic oxygen atom. In the bisligand palladium(II) complex with AEDP, both ligand molecules are coordinated in a bidentate mode by the amino nitrogen atom and a phosphonic oxygen atom.