[[bis(trimethylsilyl)silanidyl-dimethylsilyl]-dimethylsilyl]-bis(trimethylsilyl)silanide;lead(2+);tris(2,3,4,5,6-pentafluorophenyl)borane | 1370409-89-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: [[bis(trimethylsilyl)silanidyl-dimethylsilyl]-dimethylsilyl]-bis(trimethylsilyl)silanide;lead(2+);tris(2,3,4,5,6-pentafluorophenyl)borane
• CAS: 1370409-89-4
• 化学式: C₃₄H₄₈BF₁₅PbSi₈
• 分子量: 1184.43
• InChiKey: UVTTURYGYPTBHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  59
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  1,4-dipotassio-1,1,4,4-tetrakis(trimethylsilyl)tetramethyltetrasilane 在 KO-t-Bu 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 生成 [[bis(trimethylsilyl)silanidyl-dimethylsilyl]-dimethylsilyl]-bis(trimethylsilyl)silanide;lead(2+) 、 [[bis(trimethylsilyl)silanidyl-dimethylsilyl]-dimethylsilyl]-bis(trimethylsilyl)silanide;lead(2+);tris(2,3,4,5,6-pentafluorophenyl)borane
  参考文献：
  名称：

  Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene

  摘要：

  By reaction of 1,4-dipotassio-1,1,4,4-tetrakis-(trimethylsilyl)tetramethyltetrasilane with PbBr2 in the presence of triethylphosphine a base adduct of a cyclic disilylated plumbylene could be obtained. Phosphine abstraction with B(C6F5)(3) led to formation of a base-free plumbylene dimer, which features an unexpected single donor-acceptor PbPb bond. The results of density functional computations at the M06-2X and B3LYP level of theory indicate that the dominating interactions which hold the plumbylene subunits together and which define its actual molecular structure are attracting van der Waals forces between the two large and polarizable plumbylene subunits.

  DOI：

  10.1021/ja300654t