(C9H6(CH3))Rh(1,2-bis(dicyclohexylphosphino)ethane) | 226420-89-9

• 英文名称: (C9H6(CH3))Rh(1,2-bis(dicyclohexylphosphino)ethane)
• CAS: 226420-89-9
• 化学式: C₃₆H₅₇P₂Rh
• 分子量: 654.702
• InChiKey: BZEFFGGOCREBOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为产物：
  描述：

  bis(ethylene)(η5-1-methylindenyl)rhodium(I) 、 1,2-双(二环己基磷基)-乙烷 以 四氢呋喃 为溶剂， 以79%的产率得到(C9H6(CH3))Rh(1,2-bis(dicyclohexylphosphino)ethane)
  参考文献：
  名称：

  Synthesis, structure, and solution dynamics of indenyl rhodium complexes containing bulky phosphine ligands: molecular structures of (<font face="SYMBOL">h</font>⁵-1-CH₃-C₉H₆)Rh(<font face="SYMBOL">h</font>²-C₂H₄)(PCy₃) (Cy = cyclohexyl) and (<font face="SYMBOL">h</font>⁵-1-CH₃-C₉H₆)Rh(dcpe) (dcpe = Cy₂PCH₂CH₂PCy₂)

  摘要：

  Reactions of (eta(5)-1-CH3-C9H6)Rh(eta(2)-C2H4)(2) with PCy3 (Cy = cyclohexyl) acid 1,2-bis(dicyclohexylphosphino)ethane (dcpe = Cy2PCH2CH2PCy2) gave complexes (eta(5)-1-CH3-C9H6)Rh(eta(2)-C2H4)(PCy3) (1) and (eta(5)-1-CH3-C9H6)Rh(dcpe) (2), respectively, in high yields. Complexes 1 and 2 were characterized by x-ray diffraction studies and by multinuclear NMR spectroscopy. Variable temperature P-31{H-1} NMR spectra allowed for evaluation of energy barriers associated with indenyl ring rotation. While 1 and 2 displayed similar degrees of slip-fold distortion with respect to bonding of the indenyl ligand to the RhL2 fragment, a lower energy barrier to ring rotation was calculated for the mixed ethylene-phosphine complex 1. Yellow crystals of 1 are orthorhombic, Pbca with 16 molecules per unit cell of dimensions a = 11.341(3), b = 32.915(10), and c = 29.413(9) Angstrom. Yellow crystals of 2 are triclinic, PT with two molecules per unit cell dimensions a = 9.327(3), b = 10.117(3), c = 18.934(6) Angstrom, alpha = 104.28(2)degrees beta = 101.34(2)degrees and gamma = 92.99(2)degrees.

  DOI：

  10.1139/cjc-77-2-205