[(μ4-S)(μ2-Cl)2Pd4(p-C2H5OC6H3CH=NC6H4-p-C2H5)4] | 932366-67-1

• 英文名称: [(μ4-S)(μ2-Cl)2Pd4(p-C2H5OC6H3CH=NC6H4-p-C2H5)4]
• CAS: 932366-67-1
• 化学式: C₆₈H₇₂Cl₂N₄O₄Pd₄S
• 分子量: 1538.0
• InChiKey: YRTQVIPYNOEEAL-VZJPIDHSSA-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：

  盐酸 、 [(μ4-S)((μ2-OH)Pd2(p-C2H5OC6H3CH=NC6H4-p-C2H5)2)2] 以 乙醚 、 二氯甲烷 为溶剂， 生成 [(μ4-S)(μ2-Cl)2Pd4(p-C2H5OC6H3CH=NC6H4-p-C2H5)4]
  参考文献：
  名称：

  Genuine Examples of Tetrahedral Tetradentate Sulfide Ligand Bridging Four Pd Atoms:  Controlled Formation of [(μ₄-S){(μ₂-X)Pd₂(C^∧N)₂}₂] (X = OH or Cl; HC^∧N = p-C₂H₅OC₆H₄CHNC₆H₄-p-C₂H₅) Complexes

  摘要：

  A smooth reaction of [(mu(3)-S)(mu(3)-OH)Pd-3((CN)-N-and)(3)] (2) with [(mu(2)-X)(2)Pd-2((CN)-N-and)(2)] (2:1; (HCN)-N-and = p-C2H5OC6H4CHNC6H4-p-C2H5, X = OH, Cl) provides [(mu(4)-S){(mu(2)-OH)Pd-2((CN)-N-and)(2)}(2)] (3) and [(mu(4)-S)(mu(2)-Cl)(mu(2)-OH)Pd-4((CN)-N-and)(4)] (4). Treatment of 3 with HCl (molar ratio 1:2) leads to the corresponding tetranuclear complex [(mu(4)-S)(mu(2)-Cl)(2)Pd-4((CN)-N-and)(4)] (5). The three complexes contain a (mu(4)-S)Pd-4 core. A density functional theory study of the bonds in 3 supports that the bonding of the S atom can be described in terms of four two-center two-electron S-Pd bonds, in contrast to most other (mu(4)-S)M-4 systems in the literature, where the presence of M-M bonds prevents a bond-localized description of the molecule. The X-ray structures of 2, 3, and 5 are reported.

  DOI：

  10.1021/ic061367t