trans-[RhCl2(H2O)(C6H3-2,6-(CH2P(cyclohexyl)2)2)] * propan-2-ol | 165463-10-5

• 英文名称: trans-[RhCl2(H2O)(C6H3-2,6-(CH2P(cyclohexyl)2)2)] * propan-2-ol
• 英文别名: trans-[RhCl2(OH2)(C6H3-2,6-(CH2PCy2)2)] * (i)PrOH
• CAS: 165463-10-5
• 化学式: C₃H₈O*C₃₂H₅₃Cl₂OP₂Rh
• 分子量: 749.627
• InChiKey: CCIQCCKFUOSMJG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  乙醇 、 trans-[RhCl2(H2O)(C6H3-2,6-(CH2P(cyclohexyl)2)2)] * propan-2-ol 以 乙醇 为溶剂， 生成 trans-[RhCl2(EtOH)(C6H3-2,6-(CH2PCy2)2)]
  参考文献：
  名称：

  Crystal structures of the solvates trans-[RhCl2(MeOH){C6H3-2,6-(CH2PCy2)2}]. 0.41CH2Cl2 and trans-[RhCl2(EtOH){C6H3-2,6-(CH2PCy2)2}]. H2O. Factors influencing the reactions of C6H4-1,3-(CH2PR2)2 with RhCl3

  摘要：

  The terdentate ligands C6H3-2,6-(CH(2)PCy(2))(2) (PCP: Cy = cyclohexyl) in the octahedral solvento complexes trans-[RhCl2(MeOH)(PCP)] and trans-[RhCl2(EtOH)(PCP)] adopt conformations which minimise the interactions between the sterically demanding Cy groups and the trans chlorides. Comparison of these structures with those of related molecules, including square-pyramidal and square-planar species, suggests an explanation for the different structural types obtained as products from reactions of RhCl3.3H(2)O and various ligands C6H4-1,3-(CH(2)ER(2))(2) with E = N or P.

  DOI：

  10.1016/0022-328x(94)05361-e
• 作为产物：
  描述：

  trans-[RhCl2(OH2)(C6H3-2,6-(CH2PCy2)2)] 以 水 、 异丙醇 为溶剂， 生成 trans-[RhCl2(H2O)(C6H3-2,6-(CH2P(cyclohexyl)2)2)] * propan-2-ol
  参考文献：
  名称：

  Synthesis and characterisation of trans-[RhCl2(OH2){C6H3-2,6-(CH2PCy2)2]: factors influencing the RhO bond length in rhodium-aqua complexes

  摘要：

  The reaction between C6H4-1,3-(CH(2)PCy(2))(2), Cy = cyclohexyl, and RhCl3 . 3SH(2)O produced trans-[RhCl2(OH2){C6H3-2,6-(CH(2)PCy(2))(2)}], [RhCl2(OH2)(PCP)]. The product was characterised spectroscopically and the crystal and molecular structure of its 2-propanol solvate, [RhCl2(OH2)(PCP)]. propan-2-ol, C35H61Cl2O2P2Rh, was determined by X-ray analysis. The crystals are monoclinic, space group P2(1)/a, with a = 11.513(1), b = 25.874(2), c = 13.576(1) Angstrom, beta = 113.47(6)degrees, V = 3709.7(2) Angstrom(3), M = 749.71, Z = 4. Comparisons with other rhodium-aqua complexes show that the Rh-O distances are extremely sensitive to trans influence, but insensitive to other factors such as the oxidation state or coordination number of the metal ion, or steric crowding. The charge on the complexes appears to exert only a minor influence.

  DOI：

  10.1016/0020-1693(94)04324-o