| 269077-75-0

• CAS: 269077-75-0
• 化学式: C₂₄H₄₅IP₂Ru
• 分子量: 623.543
• InChiKey: RFHAADVTNFXRQM-UHFFFAOYSA-M

反应信息

• 作为产物：
  描述：

  碘甲烷 、 Ru(hydride)Cl[1,3-bis((di-tert-butylphosphino)methyl)benzene] 以 neat (no solvent) 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Agostic Bonding in Pincer Complexes of Ruthenium

  摘要：

  High-yield preparations have been developed for 16-e square-pyramidal complexes of ruthenium(II) RuCl(CO)[2,6-(CH2PBu2t)(2)C6H3] (1), RuHCl[1,3-(CH2PBu2t)(2)C6H4] (2), and RuHI[1,3-(CH2PBu2t)(2)C6H4] (3). NMR and X-ray studies have revealed strong eta(2) CH bonding in the Ru[1,3-(CH2PBu2t)(2)C6H4] fragment of 2 and 3. These complexes show stretched agostic C-H bonds, elongated ipso-C-Ru distances, reduced (1)J(CH) couplings, and large IPR shifts in H-1 NMR. A consistent picture has emerged of a stronger agostic bonding and greater C-H bond activation in the eta(2) C-H trans to chloride in 2. This finding is attributed to stronger pi-donor properties of chloride compared to iodide and increased back-donation into the antibonding orbital of the eta(2) C-H. Analysis of the X-ray and NMR T-1 data has also indicated the presence of an attractive interaction, dihydrogen bonding, between the agostic C-H hydrogen and neighboring hydride in 2 and 3.

  DOI：

  10.1021/om000085c