Ag(1,1,1,5,5,5-hexafluoroacetylacetonate)(SEt2) | 159648-78-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ag(1,1,1,5,5,5-hexafluoroacetylacetonate)(SEt2)
• CAS: 159648-78-9
• 化学式: Ag*C₄H₁₀S*C₅HF₆O₂
• 分子量: 405.11
• InChiKey: NJJMZGLIWHTZML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.21
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  六氟乙酰丙酮 以 乙醚 、 正戊烷 为溶剂， 生成 Ag(1,1,1,5,5,5-hexafluoroacetylacetonate)(SEt2)
  参考文献：
  名称：

  Synthesis and characterization of Lewis-base adducts of 1,1,1,5,5,5-hexafluoroacetylacetonatosilver(I)

  摘要：

  The compounds [{Ag(hfacac)}(m)L(n)] [hfacac = 1,1,1,5,5,5-hexafluoroacetylacetonate, L = norbornadiene (nbd), m = 2, n = 1; L = SMe2, SEt2, SPrn2 or SBun2, m = 1, n = 1; L = 1,4-oxathiane, m = 1, n = 1 or 2] were prepared by the reaction between the Lewis bases, L, Hhfacac and Ag2O in the appropriate ratios. In addition, the intermediate [{Ag(hfacac)}2(H2O)], formed by the reaction of Ag2O with 2 equivalents of Hhfacac in the absence of L was isolated. These species were characterized by H-1 and C-13 NMR and Fourier-transform IR spectroscopy and by combustion elemental analysis. Three examples were structurally characterized by single-crystal X-ray diffraction. The compound [{Ag(hfacac)}2(H2O)] is oligomeric by virtue of intermolecular hydrogen bonding between the co-ordinated water molecule and the oxygen atoms in the hfacac ligand in an adjacent molecule. In addition there is a bonding interaction between the methine carbon in the hfacac ring of one molecule and the silver centre in an adjacent molecule. The compound [{Ag(hfacac)}2(nbd)] is dimeric leading to a tetranuclear molecular unit in which the hfacac ligands both chelate and bridge, with unidentate nbd ligands. The compound [Ag(hfacac)(C4H8OS)2] is monomeric in the solid state with the 1,4-oxathiane ligands co-ordinated to the silver(I) centre exclusively via the S atoms. The silver has a severely distorted tetrahedral geometry with an enlarged S-Ag-S angle [1 49.6(l )-degrees] and a reduced O-Ag-0 angle [74.4(2)-degrees] which is characteristic of (beta-diketonato)bis(ligand)metal compounds where M = Ag or Cu.

  DOI：

  10.1039/dt9940002841

文献信息

• Synthesis and Structure Determination of (hfac)Ag(SEt2), Pd(hfac-C)(hfac-O,O)(SEt2), and [(hfac)Ag]4(SEt2): Ligand Exchange Reactions Relevant to Aerosol-Assisted Chemical Vapor Deposition (AACVD) of Ag1-xPdx Films
  作者：Chongying Xu、Mark J. Hampden-Smith、Toivo T. Kodas、Eileen N. Duesler、Arnold L. Rheingold、Glenn Yap

  DOI：10.1021/ic00123a008

  日期：1995.9

  This paper describes the solution chemistry of the species (hfac)Ag(SEt(2)) and Pd(hfac)(2) which have been used as metal-organic precursors for the aerosol-assisted (AA) chemical vapor deposition (CVD) of Ag1-xPdx alloy films. The reaction between (hfac)Ag(SEt(2)) and Pd(hfac)(2) was investigated in toluene solution and found to result in a reaction with formation of the species Pd(hfac-C)(hfac-O,O)(SEt(2)) and [(hfac)Ag](4)(SEt(2)). These two species were characterized in solution by NMR spectroscopy and in the solid state by FTIR, elemental analysis, and single-crystal X-ray diffraction. The solid state structure of Pd(hfac-C)(hfac-O,O)(SEt(2)) confirmed the monomeric square planar four-coordinate structure of this molecule with two different hfac bonding modes. Crystal data: empirical formula C14H12PdF12O4S: crystal system monoclinic; space group P2(1)/n; unit cell dimensions a = 9.0273(9) (2), b = 26.248(3), c = 9.763(8) Angstrom; beta = 103.042(2)degrees; Z = 4. The species [(hfac)Ag](4)(SEt(2)), comprised ''(hfacAg)(4)'' tetramers connected by bridging SEt(2) groups to forman infinite polymer. This structure is remarkable for the presence of unusual unsupported mu-SEt(2) and mu(4)-hfac ligand binding modes. Crystal data: empirical formula C24H14Ag4F24O8S; crystal system monoclinic; space group C2/c; unit cell dimensions a = 24.776(2), b = 9.5179(8), c = 19.940(3) Angstrom; beta = 126.724(8)degrees; Z = 4. The observation of this unusual coordination mode for mu-SEt(2) prompted us to structurally characterize (hfac)Ag(SEt(2)) in the solid state by single-crystal X-ray diffraction. Crystal data: empirical formula C9H11AgF6O2S; crystal system hexagonal; space group P6(1)22; unit cell dimensions a = 10.853(4), c = 18.850(1) Angstrom; Z = 6. This compound is monomeric in the solid state with a unidentate SEt(2) ligand. The observation of this ligand exchange reaction between (hfac)Ag(SEt(2)) and Pd(hfac)(2) in a 1:1 mole ratio with formation of the species Pd(hfac-C)(hfac-O,O)(SEt(2)) and [(hfac)Ag](4)(SEt(2)) leads to the following balanced equation: 4(hfac)Ag(SEt(2)) + 3Pd(hfac)(2) reversible arrow 3Pd(hfac-C)(hfac-O,O)(SEt(2)) + [(hfac)Ag](4)(SEt(2)). When this reaction was repeated by mixing the reagents in the correct mole ratios as defined in the preceding equation, the product Pd(hfac-C)(hfac-O,O)(SEt(2)) was obtained in only 45-50% yield in solution as determined by H-1 NMR integration and unreacted Pd(hfac)(2) was observed, consistent with the presence of an equilibrium between all the species involved, In order to prevent this ligand exchange reaction in solutions containing both Ag(I) and Pd(II) compounds required for AACVD of Ag1-xPx alloys, it is reasonable to use Pd(hfac-C)(hfac-O,O)(SEt(2)) as a Pd source. It is shown that Pd(hfac-C)(hfac-O,O)(SEt(2)) and (hfac)Ag(SEt(2)) do not undergo ligand exchange (or any other reaction) in toluene solution, and so represent a suitable source for the deposition of Ag1-xPdx alloys by AACVD.