RuH2(η2:η2-H2BMes)(PCy3)2 | 946056-11-7

• 英文名称: RuH2(η2:η2-H2BMes)(PCy3)2
• 英文别名: RuH2(η2:η2-mesitylborane)(PCy3)2
• CAS: 946056-11-7
• 化学式: C₄₅H₈₁BP₂Ru
• 分子量: 795.967
• InChiKey: AJURXIZWOMKSCZ-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：

  lithium mesitylhydroborate 、 RuHCl(H2)(PCy3)2 以 甲苯 为溶剂， 以71%的产率得到RuH2(η2:η2-H2BMes)(PCy3)2
  参考文献：
  名称：

  Mesitylborane as a Bis(σ-B−H) Ligand:  An Unprecedented Bonding Mode to a Metal Center

  摘要：

  The new borane complex RuH2(eta(2):eta(2)-H(2)BMes)(PCy3)(2) (2) can be isolated in good yield by reaction of H(2)BMes with RuH2(eta(2)-H-2)(2)(PCy3)(2) (1) or alternatively, by reacting the chloro dihydrogen complex RuHCl(eta(2)-H-2)(PCy3)(2) (3) with lithium mesitylborohydride. 2 has been fully characterized by NMR and X-ray diffraction crystallography. A DFT/B3PW91 analysis shows that in 2, the H(2)BMes group is coordinated to the {RuH2(PCy3)(2)} fragment through two geminal sigma-B-H bonds. This coordination involves sigma-donation to the ruthenium and pi back-bonding from the ruthenium to the vacant p orbital of the boron. These two geminal sigma-B-H bonds are responsible for the short Ru-B distance (1.938 (4) angstrom by X-ray, 1.957 A by DFT).

  DOI：

  10.1021/ja0733538