[(η(5)-C5Me4Et)RhCl((C6F5)2PCH2CH2P(C6F5)2)]BF4 | 205321-24-0

• 英文名称: [(η(5)-C5Me4Et)RhCl((C6F5)2PCH2CH2P(C6F5)2)]BF4
• CAS: 205321-24-0
• 化学式: BF₄*C₃₇H₂₁ClF₂₀P₂Rh
• 分子量: 1132.65
• InChiKey: CIBWOAQDBMLQQN-UHFFFAOYSA-M

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：

  氟硼酸铵 、 [(η(5)-C5Me4Et)RhCl(μ-Cl)]2 、 1,2-双(二五氟代苯基磷基)-乙烷 以 甲醇 、 二氯甲烷 为溶剂， 以62%的产率得到[(η(5)-C5Me4Et)RhCl((C6F5)2PCH2CH2P(C6F5)2)]BF4
  参考文献：
  名称：

  Activation of C–F and C–H bonds by polyalkylcyclopentadienylrhodium complexes: crystal structure of [(η5-C5Me4Et)RhCl{(C6F5)2PCH2CH2P(C6F5)2}]+·BF4−

  摘要：

  The reaction between [(eta(5)-C5Me4Et)RhCl(mu-Cl)](2) and the diphosphine, (C6F5)(2)PCH2CH2P(C6F5)(2) (dfppe), proceeded via the activation of two C-F and two C-H bonds and the formation of two C-C bonds to give a mixture of isomers of a salt with formulation '[(eta(5)-C5Me4Et)RhCl{(C6F5)(2)PCH2CH2P(C6F5)(2)}-2HF](+). Cl-' (3a). Treatment of [(eta(5)-C5Me4Et)RhCl(mu-Cl)](2) with NH4BF4 followed by dfppe yielded [(eta(5)-C5Me4Et)RhCl{(C6F5)(2)PCH2CH2P(C6F5)(2)}](+). BF4- (4b) which, on thermolysis in ethanol underwent C-F and C-H bond activation to yield the tetrafluoroborate salt of 3a (3b). The structure of 4b was determined by a single crystal X-ray diffraction study. The salt 4b crystallizes in the triclinic space group P (1) over bar with a = 15.743 (4), b = 16.429 (2), c = 16.970 (3) Angstrom, alpha = 79.41 (2), beta = 84.34 (2), gamma = 82.01 (2)degrees and Z = 4. Refinement gave final R-1 and wR(2)[I > 2 sigma(I)] values of 0.0955 and 0.2200 respectively for 7254 observed reflections. When the reaction between [(eta(5)-C5Me4Et)RhCl(mu-Cl)](2) and dfppe was carried out in ethanol, a mixture of 3b, 4b and the singly C-F bond activated complex '[(eta(5)-C5Me4Et)RhCl{(C6F5)(2)PCH2CH2P(C6F5)(2)}-HF]+. BF4-' (5b) were obtained after addition of NH4BF4. The monophosphines P(C6F5)(3) and PPh(C6F5)(2) failed to react with [(eta(5)-C5Me5)RhCl(mu-Cl)](2) and the reaction between [(eta(5)-C5Me5)RhCl(mu-Cl)](2) and PPh2(C6F5) did not lead to C-F bond activation but yielded (eta(5)-C5Me5)RhCl2{PPh2(C6F5)} (6). (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(97)00704-3