| 386706-19-0

• CAS: 386706-19-0；386706-22-5
• 化学式: C₂₄H₃₅Ir₂N₆*F₆P
• 分子量: 936.986
• InChiKey: RLYBTESCFWDXRQ-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：

  六氟磷酸钾 、 1H-1,2,3-三氮唑 、 以 水 为溶剂， 生成 、
  参考文献：
  名称：

  Reactions of the cationic complex [(η5-C5Me5)2Ir2(μ2-H)3]+ with nitrogen-containing heterocycles in aqueous solution

  摘要：

  The dinuclear cation [(eta (5)-C5Me5)(2)Ir2(mu (2)-H)(3)](+) (1) reacts in aqueous solution with pyrazole and 4-methylpyrazole to give the bispyrazolato complexes [(eta (5)-C5Me5)(2)Ir-2(mu (2)-H)(mu (2)-eta (1),eta (1)-N2C3H2R)(2)](+) (R = H, 2; R = Me, 3). The reaction of complex 1 with 1,2,4-triazole results in the formation of the bistriazolato complex [(mu (5)-C5Me5)(2)Ir-2(mu (2)-H)(mu (2)-eta (1),eta (1)-N3C2H2)(2)](+) (4). Successive protonation of the triazolato ligands in 4 leads to the complexes [(eta (5)-C5Me5)(2)Ir-2(mu (2)-H)(mu (2)-eta (1),eta (1)-N3C2H2)(mu (2)-eta (1),eta (1)-N3C2H3)](2+) (5) and [(eta (5)-C5Me5)(2)Ir-2(mu (2)-H)(mu (2)-eta (1),eta (1)-H3C2H3)(2)](3+) (6). The reaction of 1 with 1,2,3-triazole gives a 1:1 mixture of the bistriazolato complexes [(eta (5)-C5Me5)(2)Ir-2(mu (2)-H)(mu (2)-eta (1),eta (1)-N3C2H2)(2)](+) with parallel (7a) and antiparallel (7b) coordination of the triazolato ligands. The X-ray structure analysis of 3 reveals a diiridium backbone which is bridged by two pyrazolato ligands, the N-N axis being coordinated in a mu (2)-eta (1),eta (1) fashion. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01089-0