| 266340-17-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 266340-17-4
• 化学式: C₁₈H₄₅NOP₂Ru
• 分子量: 454.579
• InChiKey: UKDKVRNHYVEKPM-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：

  以 丙酮 、 正戊烷 为溶剂， 生成
  参考文献：
  名称：

  16-Electron Ruthenium(0) Complexes Containing the Ru(NO)L₂⁺ Substructure:  Planar RuCH₃(NO)L₂ vs Sawhorse [Ru(NO)(CC(SiMe₃)₂)L₂]⁺

  摘要：

  The synthesis and characterization of RuCl(NO)L-2 (L = (PPr3)-Pr-i and (PBu2Me)-Bu-t) and RuX(NO)L-2 (X = F, CH3, OSO2CF3, and H) are reported. All are planar at Ru. Reaction of Ru(OSO2CF3)(NO)L-2 with NaBAr'(4) (Ar' = C6H3(CF3)(2)) in CH2Cl2 gives RuCl(CH2Cl)(NO)L-2(+), while in C6H5F in the presence of Me3SiC=CSiMe3, the vinylidene complex Ru[C=C(SiMe3)(2)](NO)L-2(+) is formed. The latter is a "sawhorse" structure (i.e., P's trans but NO and C=C(SiMe3)(2) cis) and stands in contrast to the oxidative addition isomer Ru(CO)(SiMe3)(C= CSiMe3)L-2 for the carbonyl analogue. The reason for the thermodynamic reversal for CO vs NO+ is discussed on the basis DFT/(B3PW91) calculations, and the calculated structure shows bending of the nitrosyl, consistent with considerable back-donation.

  DOI：

  10.1021/om9909892