[Ni(II)(1,1,1,5,5,5-hexafluoroacetylacetonate)₂]*2H₂O | 207569-13-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Ni(II)(1,1,1,5,5,5-hexafluoroacetylacetonate)₂]*2H₂O
• 英文别名: [Ni(II)(Hfac)₂]*2H₂O；Ni(hfac)₂·2H₂O；Ni(hexafluoroacetylacetone)₂·2H₂O；Ni(hfacac)₂·2H₂O；nickel(II) bis(hexafluoroacetylacetonate) dihydrate；Ni(1,1,1,5,5,5-hexafluoropentane-2,4-dione)2*2 H2O；bis(hexafluoroacetylacetonato)nickel(II) dihydrate；nickel(II) hexafluoroacetylacetonate dihydrate；Cd(hfac)₂*2H₂O；Ni(hexafluoroacetylacetonate)2*2H2O；Ni(hfac)2*2H2O；(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;nickel(2+);hydrate
• CAS: 207569-13-9
• 化学式: C₁₀H₂F₁₂NiO₄*2H₂O
• 分子量: 508.825
• InChiKey: OMCOVIODBHSWJG-SUXDNRKISA-L

物化性质

• 熔点：
  213 °C (dec.) (lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  1.02
• 重原子数：
  28
• 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：
  81.3
• 氢给体数：
  1
• 氢受体数：
  17

安全信息

• WGK Germany：
  3
• 储存条件：
  储存条件：室温、密封、干燥

反应信息

• 作为反应物：
  描述：

  [Ni(II)(1,1,1,5,5,5-hexafluoroacetylacetonate)₂]*2H₂O 以 neat (no solvent) 为溶剂， 生成 bis(hexafluoroacetylacetonato)nickel(II) monohydrate
  参考文献：
  名称：

  Study of the thermal dissociation of processes of nickel(II) and cobalt(II) β-diketonate adducts

  摘要：

  DOI：

  10.1007/bf01913392
• 作为产物：
  描述：

  bis(hexafluoroacetylacetonazo)nickel(II) 在 水 作用下， 以 苯 为溶剂， 生成 [Ni(II)(1,1,1,5,5,5-hexafluoroacetylacetonate)₂]*2H₂O
  参考文献：
  名称：

  Study of the thermal dissociation of processes of nickel(II) and cobalt(II) β-diketonate adducts

  摘要：

  DOI：

  10.1007/bf01913392

文献信息

• A family of 2p-3d complexes based on 4,5-dimethyltriazole nitronyl nitroxide radical: synthesis, structure, and magnetic properties
  作者：Jian Yun Shi、Zhi Long Ma、Meng Chen Wang、Li Tian

  DOI：10.1016/j.ica.2020.120122

  日期：2021.2

  using 4,5-dimethyltriazole nitronyl nitroxide radical. All of the complexes with the same formula of [M(hfac)2(4,5-di-Me-3-NIT-trz)2] [M = Co(II) 1, Ni(II) 2, Cu(II) 3; 4,5-di-Me-3-NIT-trz = 2-[3-(4,5-dimethyl-l,2,4-triazolyl)]-4,4,5,5-tetramethylimida- zoline-1-oxyl-3-oxide; hfac = hexafluoroacetylacetone] are characterized by X-ray analysis, and their magnetic properties were studied in detail. The

  摘要利用4,5-二甲基三唑硝酰基硝基氧自由基成功合成了3种2p-3d配合物。所有具有相同分子式[M（hfac）2（4,5-di-Me-3-NIT-trz）2]的配合物[M = Co（II）1，Ni（II）2，Cu（II ）3; 4,5-二-Me-3-NIT-trz = 2- [3-（4,5-二甲基-1,2,4-三唑基）]-4,4,5,5-四甲基咪唑啉-1- 3-氧化氧基; 通过X射线分析表征[hfac ＝六氟乙酰丙酮]，并详细研究了它们的磁性能。1-3中的金属离子全部为扭曲的八面体构型，来自两个双齿hfac-配体的四个氧原子和来自两个不同的4,5-di-Me-3-NIT-trz配体的两个三唑N原子。1-3的磁行为表明金属离子和自由基是反铁磁耦合的（JCo-rad = -7.11 cm-1，对于1； JNi-rad = -1.63 cm-1，对于2； JCu-rad =- 8.71厘米-1，
• “Jumping” crystals: structures and properties of CuII complexes with N-methylimidazolyl- and N-methyltriazolyl-substituted nitronyl nitroxides
  作者：V. I. Ovcharenko、E. V. Tretyakov、S. V. Fokin、E. Yu. Fursova、O. V. Kuznetsova、S. E. Tolstikov、G. V. Romanenko、A. S. Bogomyakov、R. Z. Sagdeev

  DOI：10.1007/s11172-011-0381-7

  日期：2011.12

  results of the X-ray diffraction study of the complex [Ni(hfac)2LIm2] synthesized earlier are reported. In the solid state of the complexes [Cu(pfh)2LIm2] and [Co(piv)2LIm2], the paramagnetic ligands are cis-coordinated to the central atom in a monodentate fashion via the donor N atom of the imidazole ring. In the dinuclear complexes [[Cu(pfu)2]2LIm3] and [Cu(hfac)2LTr]2, the paramagnetic ligands are

  摘要 为寻找有利于异旋晶体出现化学机械活性的因素，合成并表征了一系列新型异旋配合物。它包括[Cu(tfac)2LIm2]·2CH2Cl2、[Cu(tfac)2LIm2]·2EtOH、[[Cu(pfu)2]2LIm3]·1/2CH2Cl2、[Cu(pfh)2LIm2]·1/2CH2Cl2、[ Cu(piv)2LIm2]·2MeOH, [Co(piv)2LIm2], [$$ Cu(hfac)_2 L^CD_3 } _2 $$], [Cu(hfac)2LTr]2·CH2Cl2, 和 [Cu( hfac)2LTr2] (LIm, $$ L^CD_3 } $$, 和 LTr 分别是 N-甲基咪唑基-、N-三甲基咪唑基-和 N-甲基三唑基-取代的硝酰基氮氧化物；tfac、hfac、pfu、pfh 和piv 是带电的配位抗磁性配体 1,1,5,5-四氟戊烷-2,4-二酸，1,1,1,5,5,5-六氟戊烷-2
• Polynuclear mixed-ligand NiII complexes containing pivalate and hexafluoroacetylacetonate ligands: a new single-molecule magnet
  作者：E. Yu. Fursova、O. V. Kuznetsova、V. I. Ovcharenko、G. V. Romanenko、A. S. Bogomyakov

  DOI：10.1007/s11172-008-0151-3

  日期：2008.6

  The reaction of NiCl2 with excess potassium pivalate (KPiv) in ethanol affords the chainpolymeric compound KNi4(Piv)7(OH)2(EtOH)6. In the solid compound, the tetranuclear nickel fragments alternate with potassium atoms. The use of KNi4(Piv)7(OH)2(EtOH)6 in the reaction with Ni(hfac)2 (hfac is the hexafluoroacetylacetonate anion) gave the first polynuclear mixed-ligand complexes [K2Ni6(Piv)7(hfac)3(OH)4(HPiv)2(Me2CO)2]·1.5C7H16, [Ni6(Piv)4(hfac)4(OH)4(Me2CO)4], [K2Ni8(Piv)8(hfac)4(OH)6(H2O)2(Me2CO)6], [Ni8(Piv)10(hfac)2(OH)2(MeO)2(MeOH)2(HPiv)2]·C6H14, and [Ni16(Piv)10(hfac)6(OH)10(MeO)6(MeOH)8(H2O)6]·C6H14 containing both Piv and hfac as the anionic ligands. The molecular and crystal structures of all these compounds were established, and their magnetic properties were studied. All solids containing simultaneously Piv and hfac ligands tend to undergo ferromagnetic ordering with decreasing temperature. The solid [Ni8(Piv)10(hfac)2(OH)2(MeO)2(MeOH)2(HPiv)2]·C6H14 undergoes cooperative magnetic ordering below T c (2.5 K).

  在乙醇中，NiCl2 与过量的特戊酸钾（KPiv）反应生成链状聚合化合物 KNi4(Piv)7(OH)2(EtOH)6。在固体化合物中，四核镍片段与钾原子交替出现。利用 KNi4(Piv)7(OH)2(EtOH)6 与 Ni(hfac)2（hfac 是六氟乙酰丙酮阴离子）反应，得到了第一个多核混合配体复合物 [K2Ni6(Piv)7(hfac)3(OH)4(HPiv)2(Me2CO)2]-1。5C7H16、[Ni6（Piv）4（hfac）4（OH）4（Me2CO）4]、[K2Ni8（Piv）8（hfac）4（OH）6（H2O）2（Me2CO）6]、[Ni8（Piv）10（hfac）2（OH）2（MeO）2（MeOH）2（HPiv）2]-C6H14、以及同时含有 Piv 和 hfac 作为阴离子配体的 [Ni16(Piv)10(hfac)6(OH)10(MeO)6(MeOH)8(H2O)6]-C6H14。我们建立了所有这些化合物的分子和晶体结构，并研究了它们的磁性能。所有同时含有 Piv 和 hfac 配体的固体都倾向于随着温度的降低而发生铁磁有序化。固体[Ni8(Piv)10(hfac)2(OH)2(MeO)2(MeOH)2(HPiv)2]-C6H14 在低于 T c (2.5 K) 时会发生协同磁有序。
• Homo- and heterometallic complexes constructed from hexafluoroacetylacetonato and Schiff-base complexes as building-blocks
  作者：Mihaela I. Mocanu、Sergiu Shova、Francesc Lloret、Miguel Julve、Marius Andruh

  DOI：10.1080/00958972.2018.1434877

  日期：2018.3.4

  be viewed as resulting from mutual coordination of one (hfac)Cu(μ-OCH3)2(Cu(hfac)} and two Cu(saldmpn)} building blocks. Compound 2 is a binuclear complex that results from two Ni(hfac)(valaepy} fragments, the nickel(II) ions bridged by the two phenoxide-oxygens. The heterobinuclear complex 3 results from coordination of the [Cu(saldmpn)] metalloligand to cobalt(II) from the Co(hfac)2} unit. The

  摘要 合成了三种新的同质和异质三金属配合物并对其进行了晶体学表征：[Cu2(saldmpn)2(μ-OCH3)2Cu2(hfac)2] (1), [Ni2(valaepy)2(hfac)2] (2) , [Cu(saldmpn)Co(hfac)2] (3) [H2saldmpn 是由水杨醛与 2,2-二甲基-1,3-二氨基丙烷缩合产生的席夫碱和由邻香兰素与2-(2-氨基乙基)吡啶)]。1 的结构由中性四核物质组成，可以看作是由一个 (hfac)Cu(μ-OCH3)2(Cu(hfac)} 和两个 Cu(saldmpn)} 构建块的相互配位产生的。化合物。图 2 是一种双核复合物，由两个 Ni(hfac)(valaepy}) 片段产生，镍 (II) 离子由两个苯氧化物-氧桥接。异双核配合物 3 是由 [Cu(saldmpn)] 金属配体与 Co(hfac)2} 单元中的钴 (II) 配位产生的。1-3
• Metal complexes as ligands. Part 12. Synthesis and X-ray crystal structure of a hexanuclear nickel(II) complex based on two isosceles trinuclear components with imidazolate bridges
  作者：Thitinant Thanyasiri、Ekk Sinn

  DOI：10.1039/dt9890001187

  日期：——

  fragment. The central nickel is octahedral with two hfacac ligands and two cis-bonded NiL complex ligands, to form an isosceles triangle of nickel atoms, of dimensions 5.754 × 5.783 × 6.407 Å. The overall structure is hexanuclear, consisting of two trinuclear subunits joined by two weak (2.908 Å) Ni–O links between NiL complex ligands. [(NiL)2Ni(hfacac)2]2·2C6H5Me crystallizes in space group P with a= 16

  新的配位体H 2 L，由5-氯-2-羟基二苯甲酮衍生的，Ó苯二胺，和咪唑-2-甲醛，形成不溶，显然聚合镍（II）复合物，其可以离解和充当单齿配体经由环氮供体。它与六氟乙酰丙酮化镍Ni（hfacac）2形成2：1加合物，在V形三核片段的空心中带有甲苯分子。中心镍为八面体，带有两个hfacac配体和两个顺式结合的NiL复合配体，形成镍原子的等腰三角形，尺寸为5.754×5.783×6.407Å。总体结构为六核，由两个三核亚基组成，两个亚核之间通过NiL复合配体之间的两个弱（2.908Å）Ni–O链连接。[（NiL）2 Ni（hfacac）2 ] 2 ·2C 6 H 5 Me在空间群P中结晶，其中a = 16.044（6），b = 15.939（4），c = 14.971（9）Å，α= 78.33（ 4），β= 72.09（5），γ= 63.56（6）°，Z = 1；对于4 660次反射，R =