[Cp2Zr(OEt2)(OEt)][HB(C6F5)3] | 287110-66-1

• 英文名称: [Cp2Zr(OEt2)(OEt)][HB(C6F5)3]
• 英文别名: [Cp2Zr(OEt)(OEt2)][HB(C6F5)3]
• CAS: 287110-66-1
• 化学式: C₁₆H₂₅O₂Zr*C₁₈HBF₁₅
• 分子量: 853.59
• InChiKey: SDNDATMXPUZMCF-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：

  四氢呋喃 、 [Cp2Zr(OEt2)(OEt)][HB(C6F5)3] 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  溶剂对Cp 2 ZrH {（μ-H）2 BR 2 }（R 2 = C 4 H 8，C 8 H 14）与B（C 6 F 5）3反应的影响：[HB（C ）的形成6 F 5）3 ] -无支撑氢桥阳离子的盐[（μ-H）{Cp 2 Zr（μ-H）2 BR 2 } 2 ] +（R 2 = C 4 H 8，C 8 H 14）和[Cp 2 Zr（OEt 2）X] +（X = OEt，{（μ-H）2 BC 8 H 14 }）

  摘要：

  的氢化物提取反应茂锆环状organohydroborate络合物的Cp 2 ZRH {（μ-H）2 BR 2 }（R 2 = C 4 ħ 8，1 ; C ^ 8 ħ 14，2）与B（C 6 ˚F 5）3分别为观察到作为溶剂的函数。在不良的配位溶剂，苯，甲苯，形式反应〔HB（C 6 ˚F 5）3 ] -的Zr-H-Zr的氢桥连的阳离子的盐[（μ-H）{的Cp 2 Zr的（μ-H）2 BR 2} 2 ] +（R 2 = C 4 H ^ 8，3 ; C ^ 8 ħ 14，4），其中存在之间没有直接的金属-金属接合桥接金属。当将络合物4中的未支撑氢桥键溶解在配位溶剂THF中时，会裂解，生成中性络合物2和离子络合物[Cp 2 Zr（THF）{（μ-H）2 BC 8 H 14 }]。 [HB（C 6 F 5）3 ]。在配位溶剂二乙醚中，[Cp2 Zr（OEt 2）X] + [HB（C 6 F 5）3 ]

  DOI：

  10.1021/om030692a
• 作为产物：
  描述：

  乙醚 、 Cp2ZrH((μ-H)2BHPh) 、 三(五氟苯基)硼烷 以 乙醚 为溶剂， 以30.5%的产率得到[Cp2Zr(OEt2)(OEt)][HB(C6F5)3]
  参考文献：
  名称：

  Effect of solvent on reactions of Cp2Zr{(μ-H)2BHR}2 and Cp2ZrH{(μ-H)2BHR} (R=CH3, Ph) with B(C6F5)3

  摘要：

  The effect that a solvent has on reactions of Cp2Zr{(mu-H)(2)BHR}(2) and Cp(2)ZrHj(mu-H)(2)BHR} (R = CH3, Ph) with B(C6F5)(3) has been studied. From the reaction in benzene the metathesis product Cp2Zr{(mu-H)(2)B(C6F5)(2)}(2), 2, was isolated. In the case of diethyl ether, different hydride abstraction products, including [Cp2Zr(OEt2){(mu-H)(2)BHPh}][HB(C6F5)(3)], 3, [Cp2Zr(OEt2) {(mu-H)(2)BHCH3)][HB(C6F5)(3)], 4, [Cp2Zr(OEt2){(mu-H)(2)BH2)][HB(C6F5)(3)], 5, and [Cp2Zr(OEt)(OEt2)][HB(C6F5)(3)], 6, were isolated depending on the starting zirconocene complex. The diethyl ether molecules of 3-6 are weakly coordinated to Zr and displaced in THF solution. Isolation of 3 and 4 is attributed to their fast precipitation from the reaction mixture, which prevented further reactions from occurring. In addition to the hydride abstraction, a hydride metathesis was also involved in the formation of 5. Time-elapsed B-11 NMR studies indicate that 3 and 4 are the intermediates on the pathway to 5 and 6. The molecular structures of 2-6 were determined by single-crystal X-ray diffraction. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.02.031

文献信息

• The Effect of Solvent in the Reaction of Cp₂ZrH{(μ-H)₂BC₄H₈} with B(C₆F₅)₃:  Formation of [HB(C₆F₅)₃]^- Salts of the Unsupported Hydrogen-Bridged Cation [(μ-H){Cp₂Zr(μ-H)₂BC₄H₈}₂]⁺ and the Cation [Cp₂Zr(OEt₂)(OEt)]⁺
  作者：Fu-Chen Liu、Jianping Liu、Edward A. Meyers、Sheldon G. Shore

  DOI：10.1021/ja001056w

  日期：2000.6.1