ethanethiolate;palladium(2+);tetraacetate | 372146-56-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethanethiolate;palladium(2+);tetraacetate
• CAS: 372146-56-0
• 化学式: C₁₆H₃₂O₈Pd₄S₄
• 分子量: 906.369
• InChiKey: FKFNSXKHHJGLRM-UHFFFAOYSA-F

计算性质

• 辛醇/水分配系数(LogP)：
  -2.77
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  165
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  乙硫醇 、 palladium diacetate 以 1,2-二氯乙烷 为溶剂， 生成 ethanethiolate;palladium(2+);tetraacetate
  参考文献：
  名称：

  摘要：

  Palladium clusters Pd-4(SEt)(4)(OAc)(4) (I) and Pd-6(SEt)(12) (II) were synthesized and studied. Their structure was determined by X-ray diffraction analysis. For I, a = 9.774(2) Angstrom, b = 10.821(2) Angstrom, c = 13.061(3) Angstrom, beta = 92.88(3)degrees, V = 1379.6(5) Angstrom (3), rho (calcd.) = 2.182 g/cm(3), space group P2(1)/n, Z = 4 N-ref = 1558, and R = 0.031; for II, a = 10.581(1) Angstrom, b = 10.584(2) Angstrom, c = 11.478(2) Angstrom, alpha= 101.62(1)degrees, beta = 104.95(1)degrees, gamma= 106.74(1)degrees, V= 1135.2(4) Angstrom (3), rho (calcd) = 2.007 g/cm(3), space group P1, Z= 1, N-ref= 2828, and R = 0.022. In cluster I, four Pd atoms form a planar cycle. The neighboring palladium atoms are bound by two acetate or by two mercaptide bridges, the Pd...Pd distances being 3.036-3.195 Angstrom. In cluster II, Pd atoms form a planar six-membered cycle with Pd...Pd distances of 3.083-3.127 Angstrom. The neighboring palladium atoms are bound by two mercaptide bridges. The formation of analogous clusters in solution was confirmed by IR spectroscopy.

  DOI：

  10.1023/a:1011310013637