bis(triphenylphosphine)copper(I) difluoroacetate | 155145-91-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bis(triphenylphosphine)copper(I) difluoroacetate
• CAS: 155145-91-8
• 化学式: C₃₈H₃₁CuF₂O₂P₂
• 分子量: 683.153
• InChiKey: VNXYQVXLHRKQSD-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：

  二氟乙酸 、 铜 在 P(C₆H₅)3 、 ethanol 作用下， 以 乙腈 为溶剂， 生成 、 bis(triphenylphosphine)copper(I) difluoroacetate
  参考文献：
  名称：

  Electrochemical synthesis and structural characterization of bis(triphenylphosphine)copper(I) fluoroacetates

  摘要：

  Bis(triphenylphosphine)copper(I) fluoroacetate complexes have been prepared by the electrochemical oxidation of copper metal in acetonitrile solutions of triphenylphosphine and mono-, di- and tri-fluoroacetic acid respectively. Recrystallization from toluene yields unsolvated mononuclear complexes [Cu(PPh3)2(O2CCH3-nFn)], n = 1-3, which have been characterized by single-crystal X-ray crystallographic determinations. Crystals of the three complexes are isomorphous with the acetate complex (n = 0), crystallizing in the monoclinic space group P2(1)/a with cell dimensions a almost-equal-to 18.0, b almost-equal-to 11.0 and c almost-equal-to 19.3 angstrom and beta almost-equal-to 120-degrees. Residuals for the complexes with n = 1, 2 and 3 were R = 0.077, 0.045 and 0.048 for 3677, 2789 and 3527 'observed' [I > 3sigma(I)] reflections respectively. The bond distances Cu-P are 2.232(3), 2.222(3); 2.234(2), 2.219(2); and 2.235(2) 2.228(2) angstrom with the corresponding P-Cu-P angles increasing from 135.0(1) to 135.8(1) to 1 36.7(1)-degrees, this latter value being the largest recorded for [Cu(PPh3)2]+. The asymmetry of the co-ordination of the carboxylate group increases along the series with Cu-0 distances of 2.144(6) and 2.363(7); 2.118(4), 2.465(6); and 2.113(4), 2.545(5) angstrom for n = 1, 2 and 3 respectively. Crystallization of the difluoro- and trifluoro-acetate complexes from ethanol results in isomorphous orthorhombic Pb2(1)a crystals (a almost-equal-to 22.2, b almost-equal-to 18.5, c almost-equal-to 9.0 angstrom) with monodentate carboxylate and co-ordinated ethanol; the monofluoroacetate is unsolvated. For [Cu(PPh3)2(O2CCHF2)(EtOH)] R was 0.052 for 2090 'observed' reflections with Cu-P 2.248(3), 2.236(3) angstrom and P-Cu-P 120.5(1)-degrees; Cu-O(carboxylate) is 2.074(8) angstrom and Cu-O(ethanol) is 2.169(8) angstrom. For [Cu(PPh3)2(O2CCF3)(EtOH)] R was 0.043 for 2350 'observed' reflections, Cu-P being 2.248(2), 2.240(2) angstrom and P-Cu-P 120.8(1)-degrees; Cu-O(carboxylate) is 2.104(6) angstrom and Cu-O(ethanol) is 2.160(6) angstrom.

  DOI：

  10.1039/dt9940000773