1-十二烷硫醇金(I) | 13149-93-4

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 中文名称: 1-十二烷硫醇金(I)
• 英文名称: 1-dodecanethiolate gold(I)
• 英文别名: gold(I) dodecanethiolate；Gold(I) dodecane-1-thiolate；dodecane-1-thiolate;gold(1+)
• CAS: 13149-93-4
• 化学式: C₁₂H₂₅AuS
• 分子量: 398.363
• InChiKey: QMOCMJWMJUUCRE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  14
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  chloroauric acid 、 十二硫醇 在 NaBH₄ 、 tetraoctylammonium bromide 作用下， 以 水 、 甲苯 为溶剂， 以60%的产率得到1-十二烷硫醇金(I)
  参考文献：
  名称：

  Properties of a Ubiquitous 29 kDa Au:SR Cluster Compound

  摘要：

  The broad, intense peak found near 29 kDa in the laser-desorption mass-spectral abundances of various aurothiol (Au:SR) cluster compounds has been used to optimize the preferential formation of the species in that mass range. Recrystallization gives enriched fractions, on the 10 mg scale, that in several cases appear free of species outside that mass range. Elemental analysis and X-ray photoelectron spectra (XPS) confirm the absence of elements other than Au, S, C, and H, while infrared and NMR (H-1,C-13) spectra are consistent with intact thio groups. The Au 4f(7/2) XPS peak is only slightly shifted (similar to0.2 eV) and broadened from that of bulk Au(0) metal, and intense optical absorption extends far into the infrared region (0.5 eV), consistent with a metallic Au core. Recrystallized samples of the R = C4, C6, and C12 materials readily form highly diffractive crystalline films, powders, and single crystals on the scale of 10 mum, consistent with perfect ordering in > 100 nm grains, and a negligible amorphous content. Uniformity is quantified through several independent measures: (1) the mass spectrometrically determined core mass of 29.2 +/- 2 kDa is invariant to that of the thiol used, indicating an equivalent Art core diameter of 1.68 +/- 0.05 nm, assuming bulk density. (2) The powder X-ray diffraction intensities are sensitively fit to a Au core of 1.64 +/- 0.03 nm equivalent diameter. (3) The powder patterns index unambiguously to bcc packing, with nearest-neighbor distances of 2.68 +/- 0.02 nm (R = C6) and 3.15 +/- 0.02 nm (R = C12). An fcc packing structure with 2.56 +/- 0.04 nm distance (11.9 nm(3) volume) is found for R = C4. A formulation consistent with this mass spectral, diffraction, and average compositional information is Au144-146(SR)(50-60), with the structure of the inorganic core being influenced by the type of adsorbate used to produce the entire inorganic/organic assembly.

  DOI：

  10.1021/jp011122w

文献信息

• Properties of a Ubiquitous 29 kDa Au:SR Cluster Compound
  作者：T. Gregory Schaaff、Marat N. Shafigullin、Joseph T. Khoury、Igor Vezmar、Robert L. Whetten

  DOI：10.1021/jp011122w

  日期：2001.9.1

  The broad, intense peak found near 29 kDa in the laser-desorption mass-spectral abundances of various aurothiol (Au:SR) cluster compounds has been used to optimize the preferential formation of the species in that mass range. Recrystallization gives enriched fractions, on the 10 mg scale, that in several cases appear free of species outside that mass range. Elemental analysis and X-ray photoelectron spectra (XPS) confirm the absence of elements other than Au, S, C, and H, while infrared and NMR (H-1,C-13) spectra are consistent with intact thio groups. The Au 4f(7/2) XPS peak is only slightly shifted (similar to0.2 eV) and broadened from that of bulk Au(0) metal, and intense optical absorption extends far into the infrared region (0.5 eV), consistent with a metallic Au core. Recrystallized samples of the R = C4, C6, and C12 materials readily form highly diffractive crystalline films, powders, and single crystals on the scale of 10 mum, consistent with perfect ordering in > 100 nm grains, and a negligible amorphous content. Uniformity is quantified through several independent measures: (1) the mass spectrometrically determined core mass of 29.2 +/- 2 kDa is invariant to that of the thiol used, indicating an equivalent Art core diameter of 1.68 +/- 0.05 nm, assuming bulk density. (2) The powder X-ray diffraction intensities are sensitively fit to a Au core of 1.64 +/- 0.03 nm equivalent diameter. (3) The powder patterns index unambiguously to bcc packing, with nearest-neighbor distances of 2.68 +/- 0.02 nm (R = C6) and 3.15 +/- 0.02 nm (R = C12). An fcc packing structure with 2.56 +/- 0.04 nm distance (11.9 nm(3) volume) is found for R = C4. A formulation consistent with this mass spectral, diffraction, and average compositional information is Au144-146(SR)(50-60), with the structure of the inorganic core being influenced by the type of adsorbate used to produce the entire inorganic/organic assembly.
• Facile, Large-Scale Synthesis of Dodecanethiol-Stabilized Au₃₈ Clusters
  作者：Huifeng Qian、Manzhou Zhu、Ulla N. Andersen、Rongchao Jin

  DOI：10.1021/jp810893w

  日期：2009.4.23

  It has long been a major challenge to achieve synthetic control over size and monodispersity of gold thiolate nanoclusters. Among the reported Au-n thiolate clusters, Au-38 has been shown to be particularly stable but was only obtained as a minor product in previous syntheses. In this work, we report a bulk solution synthetic method that permits large-scale, facile synthesis of truly monodisperse Au-38 nanoclusters. This new method explores a two-phase ligand exchange process utilizing glutathione-capped Au-n clusters as the starting material. The ligand exchange process with neat dodecanethiols causes gold core etching and secondary growth of clusters, and eventually leads to monodisperse Au-38 clusters in high purity, which eliminates nontrivial postsynthetic separation steps. This method can be readily scaled up to synthesize Au-38(SC12H25)(24) in large quantities and thus makes the approach and Au-38 nanoclusters of broad utility.
• PROCESS FOR PREPARATION OF SILVER NANOPARTICLES, AND THE COMPOSITIONS OF SILVER INK CONTAINING THE SAME
  申请人：Inktec Co., Ltd.

  公开号：EP2052043B1

  公开（公告）日：2016-10-12
• Metal Core Bonding Motifs of Monodisperse Icosahedral Au₁₃ and Larger Au Monolayer-Protected Clusters As Revealed by X-ray Absorption Spectroscopy and Transmission Electron Microscopy
  作者：Laurent D. Menard、Huiping Xu、Shang-Peng Gao、Ray D. Twesten、Amanda S. Harper、Yang Song、Gangli Wang、Alicia D. Douglas、Judith C. Yang、Anatoly I. Frenkel、Royce W. Murray、Ralph G. Nuzzo

  DOI：10.1021/jp060740f

  日期：2006.8.1

  The atomic metal core structures of the subnanometer clusters Au-13[PPh3](4)[S(CH2)(11)CH3](2)Cl-2(1) and Au-13[ PPh3](4)[S(CH2)(11)CH3](4) (2) were characterized using advanced methods of electron microscopy and X-ray absorption spectroscopy. The number of gold atoms in the cores of these two clusters was determined quantitatively using high-angle annular dark field scanning transmission electron microscopy. Multiple-scattering-path analyses of extended X-ray absorption fine structure (EXAFS) spectra suggest that the Au metal cores of each of these complexes adopt an icosahedral structure with a relaxation of the icosahedral strain. Data from microscopy and spectroscopy studies extended to larger thiolate-protected gold clusters showing a broader distribution in nanoparticle core sizes (183 +/- 116 Au atoms) reveal a bulklike fcc structure. These results further support a model for the monolayer-protected clusters (MPCs) in which the thiolate ligands bond preferentially at 3-fold atomic sites on the nanoparticle surface, establishing an average composition for the MPC of Au-180[S(CH2)(11)CH3](40). Results from EXAFS measurements of a gold(I) dodecanethiolate polymer are presented that offer an alternative explanation for observations in previous reports that were interpreted as indicating Au MPC structures consisting of a Au core, Au2S shell, and thiolate monolayer.