cis-[Re(CO)4(PPh3)(OEt2)][B(C6H3-3,5-(CF3)2)4] | 210534-91-1

• 英文名称: cis-[Re(CO)4(PPh3)(OEt2)][B(C6H3-3,5-(CF3)2)4]
• 英文别名: cis-[Re(CO)4(PPh3)(OEt2)][B(3,5-(CF3)2C6H3)4]
• CAS: 210534-91-1
• 化学式: C₂₆H₂₅O₅PRe*C₃₂H₁₂BF₂₄
• 分子量: 1497.88
• InChiKey: JOWQNOVJNOVWIT-UHFFFAOYSA-N

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：

  二氯甲烷-D2 、 cis-[Re(CO)4(PPh3)(OEt2)][B(C6H3-3,5-(CF3)2)4] 以 二氯甲烷-D2 为溶剂， 生成 [cis-(Re(CO)4(PPh3))2(μ-Cl)][B(3,5-(CF3)2C6H3)4]
  参考文献：
  名称：

  Rhenium Complexes with Weakly Coordinating Solvent Ligands, cis-[Re(PR₃)(CO)₄(L)][BAr_F], L = CH₂Cl₂, Et₂O, NC₅F₅:  Decomposition to Chloride-Bridged Dimers in CH₂Cl₂ Solution

  摘要：

  The solvent-coordinated complexes [cis-Re(CO)(4)(PR3)(S)][BArF] (R = Ph, Pr-i, Cy BArF = [B(3,5-(CF3)(2)C6H3)(4)](-)) for S = Et2O. CH(2)Chl(2) and NC5F5 have been prepared from reaction of the neutral methyl precursors, cis-Re-(CO)(4)(PR3)(Me), with either [H(OEt2)(2)][BArF] or [Ph3C][BArF] in the appropriate solvent. A crystal structure of the complex [cis-Re(CO)(4)((PPr3)-Pr-i)(ClCH2Cl)][BArF] shows that the dichloromethane ligand is coordinated through one chlorine, with an Re-Cl distance of 2.554(2) Angstrom. The first example of a structurally characterized pentafluoropyridine complex of rhenium was also determined, [cis-Re(CO)(4)((PPr3)-Pr-i)(NC5F5)][BArF], with an Re-N distance of 2.319(5) Angstrom. Activation of C-CI bonds in the dichloromethane complexes result in the formation of the chloride-bridged dimers, {[Cis-Re(CO)(4)(PR3)](2)(mu-Cl)}{BArF}, and the X-ray structures of the Ph and Cy derivatives were determined.

  DOI：

  10.1021/ic980912q
• 作为产物：
  描述：

  tetrakis[3,5-bis(trifluoromethyl)phenyl]boric acid bis(diethyl ether) complex 、 cis-Re(CO)4(PPh3)(CH3) 以 乙醚 为溶剂， 以98%的产率得到cis-[Re(CO)4(PPh3)(OEt2)][B(C6H3-3,5-(CF3)2)4]
  参考文献：
  名称：

  Highly Electrophilic [Re(CO)₄(PR₃)]⁺ Center Binds Et₂O and CH₂Cl₂ and Heterolytically Activates H₂

  摘要：

  DOI：

  10.1021/ja980212k

文献信息

• Reactions of H2, silanes, and olefins with superelectrophilic cationic rhenium complexes: heterolytic cleavage of H2 and relation to the structure and function of hydrogenases
  作者：Jean Huhmann-Vincent、Brian L Scott、Gregory J Kubas

  DOI：10.1016/s0020-1693(99)00243-1

  日期：1999.11

  reaction of cis-Re(CO)4(PR3)Me (R=Ph, Cy) with the Lewis acid B(C6F5)3 was studied by NMR spectroscopy, and was found to provide an equilibrium mixture of the solvent-coordinated complex [cis-Re(CO)4(PR3)(ClCH2Cl)][MeB(C6F5)3] and the reactants. Reaction of cis-Re(CO)4(PR3)Me with HX (X=H, SiEt3) in the presence of B(C6F5)3 at low temperature yielded the σ-bonded complexes [cis-Re(CO)4(PR3)(η2-HX)][MeB(C6F5)3]

  的反应顺-Re（CO）4（PR 3）Me（R = PH，CY）与路易斯酸B（C 6 ˚F 5）3用NMR光谱研究，并且发现其提供的的平衡混合物溶剂配位化合物[顺式-Re（CO）4（PR 3）（ClCH 2 Cl）] [MeB（C 6 F 5）3 ]和反应物。在B（C 6 F 5）3存在下，顺式-Re（CO）4（PR 3）Me与HX（X = H，SiEt 3）的反应在低温下，得到σ键合的配合物[顺-Re（CO）4（PR 3）（η 2 -HX）] [MEB（C 6 ˚F 5）3 ]，其通过X的分子内异裂分解在室温下-H键可生成MeX和氢化物桥接的二聚体[顺式-Re（CO）4（PR 3）] 2（μ-H）MeB（C 6 F 5）3 }。不稳定的H 2结合并在此和包含强π受体配体CO其它高度亲电的有机金属络合物裂解可进行相关的结构和金属酶如含有Fe-氢化催化H的函数2 ↔2H + + 2e的- 。