TlOAr' | 811433-47-3

• 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: TlOAr'
• 英文别名: thallium(I) bis-3,5-trifluoromethylphenoxide；tallium bis-3,5-trifluoromethylphenoxide；TlOAr^'
• CAS: 811433-47-3
• 化学式: C₈H₃F₆O*Tl
• 分子量: 433.485
• InChiKey: UBZIVINFKLRYQW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.42
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  23.06
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  bis(triphenylphosphine)nickel(II) chloride 、 TlOAr' 以 二氯甲烷 为溶剂， 以90%的产率得到bis(3,5-bis(trifluoromethyl)phenoxy)bis(triphenyl-l5-phosphaneyl)nickel
  参考文献：
  名称：

  Synthesis and structural characterization of Groups 10 and 11 mononuclear fluoroaryloxide complexes

  摘要：

  A study of four late-transition metal fluoroaryloxide (OArF or OAr') complexes is presented including X-ray crystallography, polynuclear solution NMR spectroscopy, UV-Vis spectroscopy and elemental analyses. The study includes three new compounds: [(Ph3P)(2)Ni(OArF)(2)] (1a), [(Ph3P)(2)Ni(OAr')(2)] (1b), [(COD)Pt(OArF)(2)] (2) and one compound whose synthesis and elemental analysis were reported previously: [(Ph3P)Au(OArF)] (3). These compounds represent the common L2MX2 (1a, 1b, 2) and LMX (3) ligand classes in Groups 10 and 11, respectively, but with an uncommon ligand type, the monodentate phenoxide. In the solid state, compounds 1a and 1b exhibit square-planar geometry at nickel with trans phosphines in each case. In solution, these nickel compounds slowly decompose in CH2Cl2. Compound 2 is quite stable in solution at room temperature with the two phenoxide ligands cis to one another in the solid state. Compound 3 has a virtually linear geometry at the gold center and is stable in the solid state in the dark but decomposes slowly in solution in the light. Comparison of these four fluoroaryloxide compounds with the protio analogs (or attempts to make such compounds) demonstrate the greater stability to reduction of late-metal aryloxide complexes with highly electron-withdrawing substituents on the phenoxide rings. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.06.012
• 作为产物：
  描述：

  3,5-二三氟甲基苯酚 、 thallium (I) ethoxide 以 甲苯 为溶剂， 以74.4%的产率得到TlOAr'
  参考文献：
  名称：

  均钴和酚铜A2 [M（OAr）4]化合物：酚盐氟化的作用。

  摘要：

  具有氟代芳基氧化物配体A2 [M（OAr）4]和M = Co2 +或Cu2 +，OAr-=（OC6F5）-（OArF）或[3,5-OC6H3（CF3）2]-（OAr）的两个系列均相酚盐配合物'），A + = K（18-crown-6）+，Tl +，Ph4P +，Et3HN +或Me4N +已合成。与氟化芳基氧化物相比，已经合成并研究了两个具有非氟化酚盐配体的相关配合物，这表明通过将OPh修饰为OAr（F）可以实现显着的结构变化。化合物[K（18-crown-6）] 2 [Cu（OArF）4]，1a; [K（18-crown-6）] 2 [Cu（OAr'）4]，1b; [Tl2Cu（OArF）4]，2a; [Tl2Cu（OAr'）4]，2b; （Ph4P）2 [Cu（OArF）4]，3; （nBu4N）2 [Cu（OArF）4]，4; （HEt3N）2 [Cu（OArF）4]，5; [K（18-crown-6）]

  DOI：

  10.1021/ic0493954

文献信息

• Fluorinated phenolates in monomeric and dimeric Co(II) compounds
  作者：Montana V. Petersen、Amber H. Iqbal、Lev N. Zakharov、Arnold L. Rheingold、Linda H. Doerrer

  DOI：10.1016/j.poly.2012.09.032

  日期：2013.3

  Five structures of two monometallic cobalt aryloxide compounds and two bimetallic cobalt-thallium compounds with bridging fluorinated aryloxide ligands (OC6F5 = OArF, OC6H3(CF3)(2) = OAr') are presented with magnetic susceptibility and spectroscopic characterization data. The monometallic compounds, [Co(OArF)(2)(DME)](2), 1, and [Co(OAr')(2)(DME)(2), 2, are prepared by metathesis reactions between two equivalents of TlOAr and one of CoI2. The heterobimetallic compounds [Tl2CO(OArF)(4)]center dot 2 toluene, 3a, and [TI2Co(OAr')(4)](2)center dot 2 toluene, 4, were prepared with a 4:1 ratio of the thallium aryloxide to CoI2. An unsolvated form of [Tl2Co(OArF)(4)], 3b, was also structurally characterized. Magnetic susceptibility studies revealed that 3b is a simple, isolated high-spin Co-II with Curie-Weiss behavior. Dimeric compounds 1 and 2 are also high-spin Coll but exhibit antiferromagnetic coupling, via superexchange through two mu(2)-OArF ligands, as supported by DFT calculations. Compound 4 exhibits ferromagnetic behavior which is ascribed to the presence of mu(3)-OAr ligands, instead of mu(2)-OAr groups. (C) 2012 Elsevier Ltd. All rights reserved.