lead(II) bis(2-aminoethanethiolate) | 765936-28-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: lead(II) bis(2-aminoethanethiolate)
• 英文别名: bis(2-aminoethanethiolato)lead(II)；Pb(2-aminoethanethiolato)₂；Pb(aet)₂；bis(2-aminoethylsulfanyl)lead
• CAS: 765936-28-5
• 化学式: C₄H₁₂N₂PbS₂
• 分子量: 359.485
• InChiKey: ZKNXWDJGYYQEQG-UHFFFAOYSA-L

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：
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• 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：

  lead(II) oxide 、 巯基乙胺 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成 lead(II) bis(2-aminoethanethiolate)
  参考文献：
  名称：

  半胱氨酸在水溶液中形成铅（II）配合物

  摘要：

  使用207 Pb，13 C和1 H NMR，Pb L III-边缘X射线吸收和UV研究了在碱性水溶液中与多齿螯合剂l-半胱氨酸（H 2 Cys）形成的铅（II）配合物–可见光谱技术，辅以电喷雾离子质谱（ESI-MS）。两组溶液的H 2 Cys / Pb II摩尔比在2.1到10.0之间变化，C Pb II = 0.01和0.1 M，分别在pH值（9.1-10.4）和半胱氨酸铅（II）沉淀的条件下制备溶解。在低H 2 Cys / Pb II下摩尔比（2.1–3.0），即二硫代[Pb（S，N -Cys）2 ] 2和[Pb（S，N，O -Cys）（S -HCys）]的混合物-平均Pb–发现（N / O）和Pb–S距离分别为2.42±0.04和2.64±0.04Å。在高浓度的游离半胱氨酸（> 0.7 M）下，大量转化为三硫醇盐[Pb（S，N -Cys）（S -HCys）2 ] 2–，包括少量的PbS

  DOI：

  10.1021/ic5025668

文献信息

• Synthesis of and Structural Studies on Lead(II) Cysteamin Complexes
  作者：Holger Fleischer、Dieter Schollmeyer

  DOI：10.1021/ic0498889

  日期：2004.9.1

  The novel compounds PbCl2.(SCH2CH2NH3) (1), Pb(SCH2CH2NH2)(2).2PbCl(SCH2CH2NH2) (2), and Pb(SCH2CH2NH2)(2) (3) were synthesized by reaction of PbO or PbCl2 with [HSCH2CH2NH3]Cl and NaOH, and were characterized by elemental analysis, IR-, and UV/vis-spectroscopy. Single-crystal X-ray diffraction revealed different coordination modes for the two Pb atoms in 2. The Pb atom in the Pb(SCH2CH2NH2)(2) unit forms two covalent Pb-S and two intramolecular dative Pb...N bonds, leading to a pseudo trigonal bipyramidal configuration with a stereochemically active lone pair. The Pb atom in the PbCl(SCH2CH2NH2) unit, the first moiety structurally characterized of the PbCl(SR) type (R = organic group), forms covalent Pb-Cl and Pb-S bonds, an intramolecular dative Pb...N bond, and two intermolecular Pb...S contacts, giving a pseudo octahedral configuration with a stereochemically active lone pair as well. Despite the Pb(SCH2CH2NH2)(2) moiety exhibiting C-2 symmetry in 2, and C-1 symmetry in 3, its structural parameters are rather similar in the two compounds. The influence of the Pb...N bond on molecular structure and thermodynamic stability were estimated by means of quantum chemical ab initio methods. Although an analysis of the wave function in terms of natural bond orbitals (NBO) revealed that n(N) and n(p)(S) compete for the empty p-orbital of the Pb-II atom, the sigma-type n(N)-6p(Pb) interaction is stronger than the pi-type n(p)(S)-6p(Pb) interaction and hence determines the conformation of the compounds.