Zn(hexafluoroacetylacetonate)₂*2H₂O | 16743-33-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Zn(hexafluoroacetylacetonate)₂*2H₂O
• 英文别名: [Zn(hexafluoroacetyloacetonate)₂(H₂O)₂]；[Zn(hexafluoroacetylacetone)₂(H₂O)₂]；[Zn(hfac)₂(H₂O)₂]；Zn(hexafluoroacetylacetonate)2(H2O)2；Zn(hfac)₂*2H2O；Zn(hfac)2(H2O)2；zinc;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;dihydrate
• CAS: 16743-33-2
• 化学式: C₁₀H₆F₁₂O₆Zn
• 分子量: 515.525
• InChiKey: HHDNHEKLDWSJAJ-LJDKTGGESA-L

物化性质

• 熔点：
  155 °C (dec.)(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  18

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 危险品运输编号：
  3261
• WGK Germany：
  3
• 安全说明：
  S26,S36

反应信息

• 作为反应物：
  描述：

  2,5-二苯基恶唑 、 Zn(hexafluoroacetylacetonate)₂*2H₂O 在 hexane 作用下， 以 二氯甲烷 为溶剂， 生成 Zn(II)2,5-diphenyloxazole hexafluoroacetylacetonate
  参考文献：
  名称：

  MARY spectroscopy in the presence of coordination compound Zn(hfac)2(PPO)2

  摘要：

  MARY spectroscopy is finding increasing use in the studies of transient organic radical ions and their reactions. Extending this technique to organometallic species will broaden the class of potential target compounds and can help answer important mechanistic questions in organometallic and spin chemistry. We probed this approach using a tailored Zn(hfac)(2)(PPO)(2) complex. The synthesized complex has quantum yield and fluorescence lifetime (n-decane solution) phi similar to 0.8 and tau similar to 1.3 ns, respectively. For this type of complex it is the first observation of MARY spectra different from those of free ligand, thus implying participation of the complex in the development of the observed signal. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.cplett.2011.01.056

文献信息

• Synthesis and Magnetic Properties of Heterometal Cyclic Tetranuclear Complexes [Cu^IILM^II(hfac)]₂ (M^II = Zn, Cu, Ni, Co, Fe, Mn; H₃L = 1-(2-Hydroxybenzamido)-2-((2-hydroxy-3-methoxybenzylidene)amino)ethane; Hhfac = Hexafluoroacetylacetone)
  作者：Shutaro Osa、Yukinari Sunatsuki、Yoko Yamamoto、Masaaki Nakamura、Tomoshige Shimamoto、Naohide Matsumoto、Nazzareno Re

  DOI：10.1021/ic0344012

  日期：2003.9.1

  [Cu(II)LMn(II)(acac)](2) (6a) (Hacac = acetylacetone) were determined by single-crystal X-ray analyses. Each complex has a cyclic tetranuclear Cu(II)(2)M(II)(2) structure, in which the Cu(II) complex functions as a "bridging ligand complex", and the Cu(II) and M(II) ions are alternately arrayed. One side of the planar Cu(II) complex coordinates to one M(II) ion at the two phenoxo and the methoxy oxygen

  一系列杂金属环状四核配合物[Cu（II）LM（II）（hfac）]（2）（M（II）= Zn（1），Cu（2），Ni（3），Co（4），Fe （5）和Mn（6））是通过K [CuL]与[M（II）（hfac）（2）（H（2）O）（2）]的1：1组装反应合成的在甲醇中的摩尔比，其中H（3）L = 1-（2-羟基苯甲酰胺基）-2-（（2-羟基-3-甲氧基亚苄基）氨基）乙烷，Hhfac =六氟乙酰丙酮。通过单晶X射线分析确定2、4和[Cu（II）LMn（II）（acac）]（2）（6a）（Hacac =乙酰丙酮）的晶体结构。每个配合物具有环状四核Cu（II）（2）M（II）（2）结构，其中Cu（II）配合物起“桥连配体配合物”的作用，Cu（II）和M（II）离子交替排列。平面Cu（II）配合物的一侧与两个phenoxo和甲氧基氧原子上的一个M（II）离子配位，Cu（II）配合物的另一侧与酰胺氧原
• Three Nickel(II) and Zinc(II) Complexes with Two Novel Nitronyl Nitroxide Ligands: Syntheses, Crystal Structures, and Luminescent Properties
  作者：You-Juan Zhang、Jun-Jie Wang、Jing Chen

  DOI：10.1002/zaac.201200151

  日期：2012.9

  of nitronyl nitroxide ligands, two ligands substituted with quinoxaline (L1) and 2-phenyl-1, 2, 3-triazole (L2) and their NiII and ZnII complexes: Ni(L1)(hfac)2 (1), Ni(L2)(hfac)2 (2), and Zn(L2)(hfac)2 (3) (hfac = hexafluoroacetylacetonate), were synthesized and characterized. X-ray single-crystal diffraction analysis shows that compound 1 has a mononuclear structure, which is further linked into a

  为了探索硝酰基氮氧化物配体的配位能力，两个被喹喔啉 (L1) 和 2-苯基-1, 2, 3-三唑 (L2) 取代的配体及其 NiII 和 ZnII 配合物：Ni(L1)(hfac)2 (1 )、Ni(L2)(hfac)2 (2) 和 Zn(L2)(hfac)2 (3)（hfac = 六氟乙酰丙酮化物）被合成并表征。X射线单晶衍射分析表明，化合物1具有单核结构，进一步通过C–H…F氢键连接成三维（3D）超分子网络，C–H…π , 和 π……π 叠加相互作用。配合物 2 和 3 具有相似的单核结构，通过各种分子间弱相互作用，如 C–H…F 氢键和 π…π 堆积相互作用，进一步连接成一维（1D）超分子链。结果表明，L1 和 L2 的空间体积以及六氟乙酰丙酮化物 (hfac) 的存在在控制配合物 1-3 最终框架的形成方面起着重要作用。此外，还详细研究了配体及其配合物的发光特性。
• Synthesis and properties of cobalt(II) coordination polymers linked by 4′-(4-pyridyl)-2,2′:6′,2″-terpyridine
  作者：Olga Drath、Robert W. Gable、Boujemaa Moubaraki、Keith S. Murray、Colette Boskovic

  DOI：10.1016/j.poly.2018.05.052

  日期：2018.9

  [Co(pyterpy) 2 }M(hfac) 2 }] 2+ (M = Co(II) or Zn(II); pyterpy = 4′-(4-pyridyl)-2,2′:6′,2″-terpyridine; hfac − = hexafluoroacetyloacetonate) feature alternating Co(pyterpy) 2 } and M(hfac) 2 } units linked through heteroditopic pyterpy ligands. Cocrystallization with [M(hfac) 3 ] − (M = Co(II) or Zn(II)) counteranions has afforded the compounds: [Co(pyterpy) 2 }Co(hfac) 2 }][Co(hfac) 3 ] 2 ( 1 ) and

  摘要阳离子一维配位聚合物[Co（pyterpy）2} M（hfac）2}] 2+（M = Co（II）或Zn（II）; pyterpy = 4'-（4-吡啶基）- 2,2'：6'，2''-吡啶； hfac-=六氟乙酰丙酮酸酯）的特征是交替的Co（pyterpy）2}和M（hfac）2}单元通过异位异位的pyterpy配体连接。与[M（hfac）3]-（M = Co（II）或Zn（II））抗衡阴离子共结晶，得到化合物：[Co（pyterpy）2} Co（hfac）2}] [Co（hfac） 3] 2（1）和[Co（pyterpy）2} Co 0.7 Zn 0.3（hfac）2}] [Zn（hfac）3] 2（2）。可变温度的晶体学和磁性研究表明，配位聚合物的Co（pyterpy）2}组分中的自旋钴（II）离子低至室温。磁性研究表明，在高于室温的这些中心发生了热诱导的自旋交叉的发生。
• Role of Triplet States of Two Different Ligands in the Sensitized Emission of Ln ^III (Eu ^III , Tb ^III ) in d–f Hybrid Tetranuclear Heterometal (Zn ^II ₂ Ln ^III ₂ , Cd ^II ₂ Ln ^III ₂ ) Complexes
  作者：Swarna Kamal Samanta、Sk Md Towsif Abtab、Pinki Saha Sardar、Sagarika Sanyal、Muktimoy Chaudhury、Sanjib Ghosh

  DOI：10.1002/ejic.201402274

  日期：2014.7

  AbstractThe crystal structures of synthesized d–f hybrid tetranuclear heterometal ZnII2EuIII2 and CdII2EuIII2 complexes, involving a pair of carboxylate ligands in a rare μ4‐η2:η2 bridging mode, reveal that the metal centers are arranged alternately in a rhombic plane within 4 Å from each other. The ZnII2EuIII2 and ZnII2TbIII2 complexes exhibit efficient sensitization compared with the CdII‐analogues. Under proper excitation, the lowest ππ* triplet states of both ligands N,N′‐dimethyl‐N,N′‐bis(2‐hydroxy‐3,5‐dimethylbenzyl)ethylenediamine (H2L) and hexafluoroacetylacetone (Hhfac) act as donors, implying synergistic energy transfer (ET). The ratio of the sensitized efficiency for the heterocomplexes in different media at 298 K and 77 K, based on the observed transients, reveal the role of ZnII and CdII in the ET process. The ratio of the ET rate constants obtained from the time‐resolved phosphorescence of the complexes at 77 K and time‐dependent DFT calculations on homocomplexes support this contention.
• Synthesis and Magnetic Property of Imidazolate-Bridged Cu(II)–M(II)–Cu(II) Complexes (M = Zn, Cu, Ni, Co, Mn)
  作者：Naohide Matsumoto、Keiji Inoue、Masaaki Ohba、Hisashi \\={O}kawa、Sigeo Kida

  DOI：10.1246/bcsj.65.2283

  日期：1992.8

  A series of imidazolate-bridged trinuclear complexes [Cu(A)M(hfac)2Cu(A)] (M = Zn2+, Cu2+, Ni2+, Co2+, Mn2+) have been prepared, where H2A = 4-(6-methyl-8-hydroxy-2,5-diazanonane-1,5,7-trienyl)imidazole and Hhfac = hexafluoroacetylacetone. The magnetic susceptibility data (4.2–300 K) were well reproduced by the equation based on the spin-Hamiltonian H = −2JCuM (SCu1·SM+SM·SCu2) to give the coupling parameters of JCuCu = −52.5 cm−1 (SCu = 1⁄2), JCuNi = −20.3 cm−1 (SNi = 1), JCuCo = −13.2 cm−1 (SCo = 3⁄2), and JCuMn = −4.5 cm−1 (SMn = 5⁄2).