| 473712-76-4

• CAS: 473712-76-4
• 化学式: C₂₆H₃B₂F₁₈N
• 分子量: 692.91
• InChiKey: NYXUHNXCDRUCKW-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

• 作为产物：
  描述：

  5,10-Dichloro-1,2,3,4,6,7,8,9-octafluoroboranthrene 以 氘代甲苯 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  New Perfluoroarylborane Activators for Single-Site Olefin Polymerization. Acidity and Cocatalytic Properties of a “Superacidic” Perfluorodiboraanthracene

  摘要：

  The synthesis, Lewis acid properties, and single-site olefin polymerization characteristics of catalyst systems utilizing the binuclear organo-Lewis acid cocatalyst 9,10-bis(pentafluorophenyl)-9,10-diboraoctafluoroanthracene, C12F8B2(C6F5)2 (8b), are reported. X-ray diffraction analysis of 8b reveals a nearly planar C12F8B2 core with -C6F5 rings rotated 75degrees out of the plane, hindering pi communication between the pendant -C6F5 substituents and the C12F8B2 core, and thereby enhancing Lewis acidity at the boron centers. Competition equilibration experiments with 8b, B(C6F5)3, and acetonitrile over a wide temperature range demonstrate that 8b is a stronger Lewis acid than B(C6F5)3 by DeltaH = +1.4(2) kcal/mol and DeltaS = -5.3(1) eu. The diffraction-derived molecular structure of 8b<--NCCH3 reveals substantial skeletal reorganization only at the coordinated boron center. When it is paired with dimethyl organo-group 4 catalyst precursors, 8b affords extremely efficient single-site olefin polymerization systems in both laboratory and large-scale reactors. In all cases, 8b forms polymerization systems with higher activities than those utilizing B(C6F5)3 as the cocatalyst.

  DOI：

  10.1021/om020079b