Pb(hexafluoroacetylacetonate)₂

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Pb(hexafluoroacetylacetonate)₂
• 英文别名: Pb(hfac)₂；Lead(II) hexafluoroacetylacetonate；bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]lead
• 化学式: C₁₀H₂F₁₂O₄Pb
• 分子量: 621.304
• InChiKey: VPDFYHDIFAQDGC-PAMPIZDHSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.47
• 重原子数：
  27
• 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：
  80.3
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  Pb(hexafluoroacetylacetonate)₂ 、 Fe(II)(hexafluoroacetylacetonate)2 以80%的产率得到Pb₂Fe(hfac)₆
  参考文献：
  名称：

  具有离散分子结构的杂金属单源前驱体的混合配体设计

  摘要：

  Pb / Fe = 1：1氧化物材料，PbFe（β-dik）4（β-dik=六氟乙酰丙酮（hfac，1），乙酰丙酮酸酯（acac，2）和三氟乙酰丙酮酸酯（tfac，4）的杂金属单源前体），已通过三种不同的固态合成方法进行了分离。杂金属二酮酸盐的晶体结构1，2，和4被发现含有建立在交替的聚合物链的[Fe（β-DIK）2 ]和[铅（β-DIK）2]通过桥接M–O相互作用而结合在一起的单元。杂金属前体具有高挥发性，但仅溶于配位溶剂中，在其中它们分解成溶剂化的均金属片段。为了设计具有适当金属/金属比和离散分子结构的杂金属前体，我们使用了两种不同的二酮酸酯配体的组合。杂多配合物Pb 2 Fe 2（hfac）6（acac）2（5）已通过将均铁（acac）2加入异金属Pb 2 Fe（hfac）6（3）的优化化学计量反应获得）可以在溶液中大规模运行的二酮酸酯。两个配体与吸电子和供电子基团的组合允许改变异金

  DOI：

  10.1021/ic5004885
• 作为产物：
  描述：

  碳酸铅(II) 、 六氟乙酰丙酮 以 氨 为溶剂， 生成 Pb(hexafluoroacetylacetonate)₂
  参考文献：
  名称：

  X-ray crystal structures of bis-2,2,6,6-tetramethylheptane-3,5-dionatolead(II) and bis-2,2-dimethyl-6,6,7,7,8,8,8-heptafluorooctane-3,5-dionatolead(II): compounds important in the metalorganic chemical vapour deposition (MOCVD) of lead-containing films

  摘要：

  Bis-2,2,6,6-tetramethylheptane-3,5-dionatolead (1), bis-2,2-dimethyl-6,6,7,7,8,8,8-heptafluorooctane-3,5-dionatolead (2) and bis-1,1,1,5,5,5-hexafluoropentane-2,4-dionatolead (3) have been prepared and characterised. X-ray single crystal structures for (1) and (2) have been determined. Compound (1) has a monomeric structure with the chelating thd (2,2,6,6-tetramethyl-3,5-heptanedione) units distorted away from a stereochemically active lone pair of electrons at the lead (II) centre. The structure of compound (2) is based on unusual dimers. Seven co-ordinate lead units are bridged by the fluorine atoms of the ligand. All three compounds are useful precursors in the deposition of lead-containing materials and their structures are useful in understanding their behaviour in materials deposition. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00043-1

文献信息

• Volatile Pd–Pb and Cu–Pb heterometallic complexes: structure, properties, and <i>trans</i>-to-<i>cis</i> isomerization under cocrystallization of Pd and Cu β-diketonates with Pb hexafluoroacetylacetonate
  作者：Vladislav V. Krisyuk、Sergey V. Tkachev、Iraida A. Baidina、Ilya V. Korolkov、Asiya E. Turgambaeva、Igor K. Igumenov

  DOI：10.1080/00958972.2015.1035653

  日期：2015.6.3

  heterobimetallic complexes, cis-PdL2*Pb(hfa)2 and cis-CuL2*Pb(hfa)2, were obtained (L = 2-methoxy-2,6,6-trimethylheptane-3,5-dionate, hfa = 1,1,1,5,5,5-hexafluoropentane-2,4-dionate) under cocrystallization of trans-bis-beta-diketonates of Pd(II) and Cu(II) with Pb(hfa)2 from organic solvents. Crystals of these compounds are built of discrete bimetallic molecules where transition metal complex isomerized

  挥发性异金属前体的制备是先进多组分材料的重要一步。研究前体合成时溶液中的分子转化对于优化所需组成的稳定固体产物的制备非常重要。获得了两种新的挥发性异双金属配合物，cis-PdL2*Pb(hfa)2 和 cis-CuL2*Pb(hfa)2（L = 2-methoxy-2,6,6-trimethylheptane-3,5-dionate, hfa = 1,1,1,5,5,5-六氟戊烷-2,4-二酮酸酯）在 Pd(II) 和 Cu(II) 的反式双-β-二酮酸酯与 Pb(hfa)2 的有机溶剂共结晶下. 这些化合物的晶体由离散的双金属分子构成，其中过渡金属络合物从反式到顺式异构化。通过溶液NMR研究络合随后异构化。双金属分子物质在溶液中较早形成。异构化的焓和活化能分别估计为 49 和 93 kJ mol-1。描述了一种新的 Pd(II) β-二酮合成技术，其特点是简单、选择性以及反式 PdL2
• Structural Diversity and Spectral Properties of the Crystals of Heterometallic Complexes Derived from TM(acacen) and Pb(diketonate)₂, TM = Cu, Ni, Pd
  作者：Vladislav V. Krisyuk、Iraida A. Baidina、Galina V. Romanenko、Natalia A. Kryuchkova、Vladimir R. Shayapov、Vladislav Yu. Komarov、Samara Urkasym Kyzy、Enrico Benassi、Igor K. Igumenov

  DOI：10.1021/acs.cgd.0c00938

  日期：2020.11.4

  Six stable heterometallic complexes with metal ratios 1:1 and 2:1 were prepared by crystallization of TM(acacen) and Pb(hfa)2 from organic solvents (TM = Cu(II), Ni(II), Pd(II); acacen = N,N′-ethylenebis(acetylacetoniminate); hfa = hexafluoroacetylacetonate). The prepared complexes show unique molecular structures. Tetranuclear heterocomplexes [TM(acacen)Pb(hfa)2]2 with a special arrangement of metal

  通过从有机溶剂（TM = Cu（II），Ni（II），Pd（II）；TM（acacen）和Pb（hfa）2结晶制备了六种稳定的金属比为1：1和2：1的杂金属配合物。 acacen ＝N，N′-亚乙基双（乙酰乙炔酸酯）； hfa ＝六氟乙酰丙酮酸酯）。制备的复合物显示出独特的分子结构。具有特殊金属原子排列的四核杂合物[TM（acacen）Pb（hfa）2 ] 2是1：1杂金属配合物晶体的基本单元。三核络合物[（TM（acacen））2 Pb（hfa）2形成其形状和晶体堆积是TM特有的。显示单金属亚基之间的化学相互作用根据所使用的TM而不同，并且改变所制备的杂金属配合物的晶体结构特征和光学性质。在获得的化合物中，仅[Ni（acacen）Pb（hfa）2 ] 2的晶体表现出高对比度的二向色性，这是可见光的亚历山大石效应，并且在偏振光照射下通过光学显微镜观察到的。TD-DFT对350-750 nm
• Volatile heterometallics: structural diversity of Pd–Pb β-diketonates and correlation with thermal properties
  作者：Vladislav V. Krisyuk、Iraida A. Baidina、Natalia A. Kryuchkova、Vladimir A. Logvinenko、Pavel E. Plyusnin、Ilya V. Korolkov、Galina I. Zharkova、Asiya E. Turgambaeva、Igor K. Igumenov

  DOI：10.1039/c7dt02843a

  日期：——

  Volatile heterobimetallics based on Pb(II) hexafluoroacetylacetonate as a host material and a range of Pd(II) complexes containing both various donor atoms and terminal substituents in the β-diketonate ligand have been studied to trace the influence of the nature of initial monometallic complexes on the structure, composition and thermal properties of heterobimetallic compounds. Structural variety and

  已研究了以六氟乙酰丙酮化的Pb（II）为主体材料的挥发性杂双金属化合物和β-二酮酸酯配体中同时含有各种供体原子和末端取代基的一系列Pd（II）配合物，以追踪初始单金属配合物的性质的影响异双金属化合物的结构，组成和热性能。异双金属化合物的结构变化和化学计量是由构成单金属部分之间竞争性供体-受体相互作用的各种组合引起的。主要的结构形成因素是Pd和Pb原子之间的亲金属相互作用，从而形成具有特定拓扑的多核结构。化合物的结构基序（离散或聚合）在很大程度上取决于最初的单金属配合物的结构和组成。利用这些化合物的结构数据和量子化学计算结果，提出了解释和预测这些化合物热稳定性的方法。
• Self‐Assembly of Coordination Polymers from Volatile Pd ^II and Pb ^II β‐Diketonate Derivatives through Metallophilic Interactions
  作者：Vladislav V. Krisyuk、Iraida A. Baidina、Tamara V. Basova、Lyubov G. Bulusheva、Igor K. Igumenov

  DOI：10.1002/ejic.201300876

  日期：2013.11.12

  AbstractNew dimetallic coordination polymers based on neutral metal β‐diketonate derivatives can be obtained by simple cocrystallization from organic solvents. X‐ray crystallography studies have been performed for the dimetallic complexes [trans‐Pd(ki)2]*[Pb(hfa)2] (1; ki = 2‐iminopentan‐4‐onate, hfa = 1,1,1,5,5,5‐hexafluoropentane‐2,4‐dionate), [cis‐Pd(ki)2]*[Pb(hfa)2] (2), and [trans‐Pd(tmha)2]*[Pb(hfa)2]2 (3; tmha = 2,2,6,6‐tetramethyl‐3‐iminoheptan‐5‐onate). The crystals of 1 and 3 are composed of chains of coordination polymers containing alternating molecules of the metal complexes. The crystals of 2 are composed of tetrametallic species. Directed noncovalent metal–metal interactions along with the bridging ligand atoms bind the coordination polymers of these heterometallic coordination compounds. Structural evidence is reported for the formation of PdII···PbII metallophilic interactions in a series of similar compounds. A comparison of the calculated and experimental IR spectra allowed determination of the absorption bands in the region 100–600 cm–1 that correspond to the cooperative vibrations of the metal atoms that result from such interactions. The steric and electronic factors of the chelate ligands can be used to design the architecture of these new coordination polymers.