[(η-5-cyclopentadienyl)Ta(PMe3)(N(2,6-C3H3-(i-Pr)2))(H)(SiCl3)] | 497154-47-9

• 英文名称: [(η-5-cyclopentadienyl)Ta(PMe3)(N(2,6-C3H3-(i-Pr)2))(H)(SiCl3)]
• CAS: 497154-47-9
• 化学式: C₂₀H₃₂Cl₃NPSiTa
• 分子量: 632.847
• InChiKey: YBYMVYKUNHWMAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (η(5)-C5H5)Ta(NC6H3(i-Pr)2-2,6)(PMe3)2 、 三氯硅烷 以 not given 为溶剂， 生成 [(η-5-cyclopentadienyl)Ta(PMe3)(N(2,6-C3H3-(i-Pr)2))(H)(SiCl3)]
  参考文献：
  名称：

  Are J(Si−H) NMR Coupling Constants Really a Probe for the Existence of Nonclassical H−Si Interactions?

  摘要：

  A series of hydridosilyl complexes of tantalum, Cp(ArN)Ta(PMe3)(H)(SiClnR3-n) (n = 0-3), was prepared and studied by 29Si NMR, X-ray diffraction, and DFT calculations. An unprecedented increase of the J(Si-H) coupling constant between the hydride and silyl ligands from 14 Hz for n = 0 to 50 Hz n = 3 was observed, which however, according to DFT calculations, does not correspond to stronger bonding interaction between silicon and hydride ligands, with the strongest interaction being for n = 1.

  DOI：

  10.1021/ja027935v