pentafluorophenylcopper(I) | 18206-43-4

• 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: pentafluorophenylcopper(I)
• 英文别名: pentafluorophenyl copper tetramer；Copper, (pentafluorophenyl)-；copper(1+);1,2,3,4,5-pentafluorobenzene-6-ide
• CAS: 18206-43-4
• 化学式: 4C₆F₅*4Cu
• 分子量: 922.416
• InChiKey: GESZGOQOLBACSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.18
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  pentafluorophenylcopper(I) 、 (HC[C(Me)N-2,6-iPr2C6H3]2)GeCCPh 以 甲苯 为溶剂， 反应 0.08h， 以45%的产率得到(HC[C(Me)N-2,6-iPr₂C₆H₃]₂)Ge(CCPh)(CuC₆F₅)₂
  参考文献：
  名称：

  Reactivity Studies of (Phenylethynyl)germylene LGeC≡CPh (L = HC[C(Me)N-2,6-iPr₂C₆H₃]₂) toward Pentafluorophenylcopper(I), -silver(I), and -gold(I) Complexes

  摘要：

  Reactions of (phenylethynyl)germylene LGeC CPh (L = HC[C(Me)N-2,6-iPr(2)C(6)H(3)](2)) with 0.25 equiv of (CuC6F5)(4), 1 equiv of AgC6F5.MeCN, and 1 equiv of AuC6F5 center dot SC4H8, respectively, yielded LGe(Ca CPh)CuC6F5 (1), [(LGeC CPh)(2)Ag](+)[Ag(C6F5)(2)](-) (2), and LGe(C CPh)AuC6F5 (3). Complexes 1-3 were characterized by IR and NMR spectroscopy and X-ray crystallography. Compound 1 shows a bonding pattern of the CuC6F5 entity by both the phenylethynyl C C linkage and the L ligand backbone of the gamma-C atom, while 3 exhibits a bonding mode of the AuC6F5 entity at the germylene center. Compound 2 is an ionic derivative featuring the Ge-Ag donor acceptor bond formed under redistribution of the AgC6F5 entity. Further reactions of 1 with (CuC6F5)4, AgC6F5.MeCN, and AuC6F5 center dot SC4H8 afforded the complexes LGe(CEECPh)(CuC6F5)(MC6F5) (M = Cu (4), Ag (5), Au (6)). Compounds 4-6 were characterized by IR and NMR spectroscopy, and 5 and 6 were further investigated by X-ray crystallography. Compounds 4-6 all show an additional bonding of the respective MC6F5 moiety at the germylene center of 1. These studies reveal a multiple donor reactivity of LGeC CPh. The slightly different Lewis acidic properties of the congeneric pentafluorophenylcopper(I), -silver(I), and -gold(I) complexes as acceptors are thus disclosed.

  DOI：

  10.1021/om300724t
• 作为试剂：
  描述：

  1,2,2-三甲基-二环{1.1.0}丁烷 在 pentafluorophenylcopper(I) 作用下， 以 氯仿 为溶剂， 生成 (E)-2-methylhexa-2,4-diene
  参考文献：
  名称：

  Transition Metal Complex Promoted Rearrangements. The Effect of the Metal and of the Attached Ligands on the Mode of Cleavage of Methylated Bicyclo[1.1.0]butanes

  摘要：

  DOI：

  10.1021/ja00777a602

文献信息

• β-Diketiminate Germylene-Supported Pentafluorophenylcopper(I) and -silver(I) Complexes [LGe(Me)(CuC₆F₅)_<i>n</i>]₂ (<i>n</i> = 1, 2), LGe[C(SiMe₃)N₂]AgC₆F₅, and {LGe[C(SiMe₃)N₂](AgC₆F₅)₂}₂ (L = HC[C(Me)N-2,6-<i>i</i>Pr₂C₆H₃]₂): Synthesis and Structural Characterization
  作者：Na Zhao、Jinyuan Zhang、Ying Yang、Hongping Zhu、Yan Li、Gang Fu

  DOI：10.1021/ic300216m

  日期：2012.8.20

  of LGeMe (L = HC[C(Me)N-2,6-iPr2C6H3]2) with 0.25 or 0.5 equiv of (CuC6F5)4 gave the products [LGe(Me)CuC6F5]2 (1) and [LGe(Me)(CuC6F5)2]2 (2), respectively. In situ formed 1 reacted with 0.5 equiv of (CuC6F5)4 to give 2 on the basis of NMR (1H and 19F) spectral measurements. Conversely, 2 was converted into 1 by treatment with 2 equiv of LGeMe. Reactions of LGeC(SiMe3)N2 with 1 or 2 equiv of AgC6F5·MeCN

  LGeMe（L = HC [C（Me）N-2,6- i Pr 2 C 6 H 3 ] 2）与0.25或0.5当量的（CuC 6 F 5）4反应得到产物[LGe（Me）CuC 6 F 5 ] 2（1）和[LGe（Me）（CuC 6 F 5）2 ] 2（2）。原位形成的1与0.5当量的（CuC 6 F 5）4反应，基于NMR得到2（1H和19 F）频谱测量。相反地，2转化为1与2当量的LGeMe通过治疗。LGeC（SiMe 3）N 2与1或2当量的AgC 6 F 5 ·MeCN的反应产生了相应的化合物LGe [C（SiMe 3）N 2 ] AgC 6 F 5（3）和LGe [C（SiMe 3）N 2 ]（AgC 6 F 5）2 } 2（4）。同样，将3转换为4通过用1当量的AgC 6 F 5 ·MeCN处理，通过与2当量的LGeC（SiMe 3）N 2反应将4转化为3。X射线晶体学研究表明，1包含菱形桥接（CuC
• Modulation of the Naked‐Eye and Fluorescence Color of a Protonated Boron‐Doped Thiazolothiazole by Anion‐Dependent Hydrogen Bonding
  作者：Stephan Hagspiel、Felipe Fantuzzi、Merle Arrowsmith、Annalena Gärtner、Maximilian Fest、Jonas Weiser、Bernd Engels、Holger Helten、Holger Braunschweig

  DOI：10.1002/chem.202201398

  日期：2022.9

  interactions, the strength of which strongly influences the 1 H NMR shift of the NH protons, enabling tuning of both the visible (yellow to red) and fluorescence (green to red) colors of these salts. DFT calculations reveal that the hydrogen bonding of the counteranion or solvent to the protonated nitrogen centers affects the intramolecular TzbTzb-to-CAAC charge transfer character involved in the S0 →S1 transition

  环烷基（氨基）卡宾 (CAAC) 稳定的噻唑硼并[5,4-d]噻唑硼啉 (TzbTzb) 与强布朗斯台德酸（例如 HCl、HOTf (Tf=O2 S ) 和 [H(OEt2 )2 ）的反应][BArF 4 ] (ArF =3,5-(CF3 )2 C6 H3 )，导致两个 TzbTzb 氮原子质子化。在每种情况下，X 射线晶体学数据都显示抗衡阴离子（Cl-、OTf-、BArF 4 -）或溶剂分子（OEt2）通过氢键相互作用与双质子化稠合杂环配位，其强度强烈影响 1 NH 质子的 H NMR 位移，可以调节这些盐的可见光（黄色到红色）和荧光（绿色到红色）颜色。 DFT 计算表明，抗衡阴离子或溶剂与质子化氮中心的氢键会影响 S0→S1 转变中涉及的分子内 TzbTzb-to-CAAC 电荷转移特性，最终能够对其吸收和发射光谱特征进行微调。
• A Donor−Acceptor Dyad with a Highly Lewis Acidic Boryl Group
  作者：Anand Sundararaman、Resmi Varughese、Haiyan Li、Lev N. Zakharov、Arnold L. Rheingold、Frieder Jäkle

  DOI：10.1021/om700520n

  日期：2007.12.1

  A donor - pi - acceptor dyad with a highly electron-deficient B(C6F5)(2) group as the acceptor has been prepared. 5-Diphenylamino-5'-bis(pentafluorophenyl)boryl-2,2'-bithiophene (3) was fully characterized by multinuclear NMR spectroscopy, mass spectrometry, and X-ray crystallography. The solid-state structure of 3 shows the presence of multiple pi-stacking interactions rather than Lewis acid - base bonding between boron and nitrogen. Cocrystallized benzene molecules are incorporated into a channel-like framework of 3. The electronic structure and photophysical properties were investigated by UV - visible absorption and emission spectroscopy and DFT calculations. The absorption and emission maxima experience a strong bathochromic shift relative to the non-fluorinated analogues, the origin of which has been further examined by DFT calculations.