fac-[iridium(III)trichloride(tris(trimethylphosphine))] monohydrate | 1430817-82-5

• 英文名称: fac-[iridium(III)trichloride(tris(trimethylphosphine))] monohydrate
• 英文别名: fac-(Me3P)3IrCl3·H₂O
• CAS: 1430817-82-5
• 化学式: C₉H₂₇Cl₃IrP₃*H₂O
• 分子量: 544.829
• InChiKey: BLDDFRNUVIYOIZ-UHFFFAOYSA-K

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

• 作为反应物：
  描述：

  fac-[iridium(III)trichloride(tris(trimethylphosphine))] monohydrate 以 二氯甲烷 为溶剂， 生成 mer-[iridium(III)trichloride(tris(trimethylphosphine))]
  参考文献：
  名称：

  Synthesis, reactivity and crystal structures of various solvates of fac-tris(trimethylphosphine)trichloroiridium

  摘要：

  The synthesis of fac-tris(trimethylphosphine)iridiumtrichloride is reported and the crystal structure of five different solvates of this compound are analyzed. Compared with the idealized structure calculated with DFT methods, bond angles and distances differ considerably for all of the solvates examined. The utility of fac-tris(trimethylphosphine)iridiumtrichloride for the synthesis of organometallic compounds of iridium(III) is also demonstrated. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.021
• 作为产物：
  描述：

  [iridium(III)(COD)(tris(trimethylphosphine))]*2HCl2(1-) 、 水 以88%的产率得到fac-[iridium(III)trichloride(tris(trimethylphosphine))] monohydrate
  参考文献：
  名称：

  Synthesis, reactivity and crystal structures of various solvates of fac-tris(trimethylphosphine)trichloroiridium

  摘要：

  The synthesis of fac-tris(trimethylphosphine)iridiumtrichloride is reported and the crystal structure of five different solvates of this compound are analyzed. Compared with the idealized structure calculated with DFT methods, bond angles and distances differ considerably for all of the solvates examined. The utility of fac-tris(trimethylphosphine)iridiumtrichloride for the synthesis of organometallic compounds of iridium(III) is also demonstrated. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.021