[Pb(NO3)(SCN)(4,4'-bipyridine)]n | 663905-04-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Pb(NO3)(SCN)(4,4'-bipyridine)]n
• 英文别名: [Pb(NO3)(SCN)(4,4'-bipyridine)]_n；[Pb(NO3)(SCN)(4,4'-bipy)]_n；[lead(II) (4,4'-bipyridine)(nitrate)(thiocyanate)]n；[(lead(II))(4,4'-bipyridine)(NO3)(thiocyanate)]n
• CAS: 663905-04-2
• 化学式: CNS*C₁₀H₈N₂*NO₃*Pb
• 分子量: 483.476
• InChiKey: LFFFBOOADVIGDI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.54
• 重原子数：
  20.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115.77
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  potassium chloride 、 [Pb(NO3)(SCN)(4,4'-bipyridine)]n 反应 0.33h， 生成 [Pb(μ-Cl)₂(4,4'-bipy)]_n
  参考文献：
  名称：

  Mechanochemical synthesis and characterization of kinetically and thermodynamically stable polymorphs of a lead(II) coordination polymer

  摘要：

  1 alpha polymorph of [Pb(mu-Cl)(2)(mu-bipy)](infinity) (bipy = 4,4'-bipyridine) was synthesized by branch tube method. It was found that one of the ways to synthesize of 1 beta is grinding of 1 alpha. Mechanochemical reactions of compounds [Pb(NO2)(2)(4,4'-bipy)](n) (2), [Pb(NO3)(SCN)(4,4'-bipy)](n) (3), [Pb-2(NO3)(4)(4,4'-bipy)](n) (4) and [Pb-2(SCN)(4)(4,4'-bipy)](n) (5) with KCl, are other ways to synthesize of 1 beta by solid-state reactions. Synthesis of compounds 2-5 from 1 alpha and 1 beta, was not possible but synthesis of [Pb(Br)(2)(4,4'-bipy)](n) (6) and [Pb(I)(2)(4,4'-bipy)] n (7) from 1 alpha and 1 beta was done successfully. In addition, the morphology of initial precursor has direct influence on morphology of resulting calcined material. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.01.037
• 作为产物：
  描述：

  4,4'-联吡啶 、 lead(II) nitrate 、 potassium thioacyanate 以 甲醇 为溶剂， 以50%的产率得到[Pb(NO3)(SCN)(4,4'-bipyridine)]n
  参考文献：
  名称：

  Direct Synthesis of the Novel 2-D Mixed-ligands Lead(II) Complex, Crystal Structure of [Pb(4,4′-bpy)(NO₃)(SCN)]_n(4,4′-bpy = 4,4′-bipyridine): (A New Polymeric Compound with Three Bridged Ligand and Inactive Lone Pair)

  摘要：

  本研究合成了一种含有 4,4′-联吡啶（4,4′-bpy）、硝酸盐和硫氰酸盐三种配体的铅（II）络合物，并通过正氯化萘元素分析、红外光谱、1H 光谱、13C 光谱和 207Pb NMR 光谱对其进行了表征。Pb(4,4′-bpy)(NO3)(SCN)]n 化合物的单晶 X 射线数据表明，该配合物是二维聚合体，铅原子具有八配位几何形状。在该配合物中，铅（II）上的孤对电子不活跃。

  DOI：

  10.1246/cl.2004.64

文献信息

• Coordination polymers of lead(II) with 4,4′-bipyridine: syntheses and structures
  作者：Ali Morsali、Alireza Mahjoub

  DOI：10.1016/j.poly.2004.08.014

  日期：2004.9

  Lead(II) complexes with the 4,4'-bipyridine (4,4'-bipy) ligand have been synthesized and characterized by CHN elemental analysis, IR, H-1 NMR, C-13 NMR and Pb-207 NMR spectroscopy. The structures of the compounds [Pb-2(4,4'-bipy)(NO3)(4)](n), [Pb-2(4,4'-bipy)(NCS)(4)](n) and [Pb(4,4'-bipy)(NO3)(SCN)](n) have been determined by X-ray crystallography. The single crystal X-ray data shows the [Pb-2(4,4'-bipy)(NO3)(4)](n) complex to be polymeric and the Ph atom has a 10 coordinate geometry, and the [Pb-2(4,4'-bipy)(NCS)(4)](n) complex to be polymeric and the Pb atom has an eight coordinate geometry. The single-crystal X-ray data of the compound [Pb(4,4'-bipy)(NO3)(SCN)](n) shows the complex to be two dimensional polymeric and the Pb atom has an eight coordinate geometry. The lone pair of electrons on lead(II) is active in the complexes [Pb2(4,4'-bipy)(NO3)(4)](n) and [Pb-2(4,4'-bipy)(NCS)(4)](n), and inactive in the complex [Pb(4,4'-bipy)(NO3)(SCN)](n). (C) 2004 Elsevier Ltd. All rights reserved.