chloro(cyclohexyldiphenylphosphine)gold(I) | 209847-83-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: chloro(cyclohexyldiphenylphosphine)gold(I)
• 英文别名: (diphenylcyclohexylphosphine)gold(I) chloride；AuCl(cyclohexyldiphenylphosphine)；cyclohexyl(diphenyl)phosphane;gold(1+);chloride
• CAS: 209847-83-6
• 化学式: C₁₈H₂₁AuClP
• 分子量: 500.758
• InChiKey: LEUKPONMPYPUCD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.45
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  chloro(cyclohexyldiphenylphosphine)gold(I) 、 硫脲 以 正己烷 、 丙酮 为溶剂， 以60%的产率得到(thiourea-κS)(cyclohexyldiphenylphosphine)gold(I) chloride
  参考文献：
  名称：

  膦和硫脲的混合配体金（I）配合物和（硫脲-κS）（三环己基膦）金（I）的X射线结构

  摘要：

  摘要制备了一系列与硫脲（Tu）和各种膦[R3PAuTu] Cl混合的配体金（I）配合物，并通过元素分析，IR和NMR（13C，15N和31P）光谱和X射线晶体学表征。所有配合物的光谱数据与硫脲与金（I）的硫配位相一致。复杂的[Cy3P–Au–Tu] Cl的单晶X射线结构表明，在金（I）处的几何形状不是完美的线性，P–Au–S的键角为168.54（9）°。Au–P和Au–S距离分别为2.274（2）和2.295（2）A。

  DOI：

  10.1016/s0277-5387(03)00129-3
• 作为产物：
  描述：

  二苯基环己基膦 、 四氯金酸水合物 在 二丙硫醚 作用下， 以 乙醇 为溶剂， 反应 1.17h， 以95%的产率得到chloro(cyclohexyldiphenylphosphine)gold(I)
  参考文献：
  名称：

  Efficient General Procedure To Access a Diversity of Gold(0) Particles and Gold(I) Phosphine Complexes from a Simple HAuCl₄Source. Localization of Homogeneous/Heterogeneous System’s Interface and Field-Emission Scanning Electron Microscopy Study

  摘要：

  Soluble gold precatalysts, aimed for homogeneous catalysis, under certain conditions may form nanoparticles, which dramatically change the mechanism and initiate different chemistry. The present study addresses the question of designing gold catalysts, taking into account possible interconversions and contamination at the homogeneous/heterogeneous system's interface. It was revealed that accurate localization of boundary experimental conditions for formation of molecular gold complexes in solution versus nucleation and growth of gold particles opens new opportunities for well-known gold chemistry. Within the developed concept, a series of practical procedures was created for efficient synthesis of soluble gold complexes with various phosphine ligands (R3P)AuCl (90-99% yield) and for preparation of different types of gold materials. The effect of the ligand on the particles growth in solution has been observed and characterized with high-resolution field-emission scanning electron microscopy (FE-SEM) study. Two unique types of nanostructured gold materials were prepared: hierarchical agglomerates and gold mirror composed of ultrafine smoothly shaped particles.

  DOI：

  10.1021/ja311258e

文献信息

• Correlation of Experimental and Calculated Reaction Enthalpies with Ligand Donor Strengths
  作者：Julian Löffler、Sofie M. P. Vanden Broeck、Catherine S. J. Cazin、Steven P. Nolan、Viktoria H. Däschlein-Gessner

  DOI：10.1002/chem.202300151

  日期：——

  Calorimetric studies on the formation of [(YPhos)AuCl] complexes confirmed the high binding strength of these ligands. The reaction enthalpies are shown to be easily obtained by calculations and correlate with the phosphine donor properties thus representing an interesting problem-specific descriptor for ligands in gold catalysis.

  [(YPhos)AuCl] 复合物形成的量热研究证实了这些配体的高结合强度。反应焓显示很容易通过计算获得，并与膦供体特性相关，因此代表了金催化中配体的一个有趣的特定问题描述符。
• <i>R</i>₃PAuCN Complexes: [{Ph₂(cyclohexyl)P}AuCN] and [{(<i>m</i>-Tolyl)₃P}AuCN]
  作者：A. R. Al-Arfaj、J. H. Reibenspies、M. S. Hussain、A. A. Isab

  DOI：10.1107/s0108270197017198

  日期：1998.6.15

  Linear complexes of cyanogold with cyclohexyldiphenylphosphine(cyano(cyclohexyldiphenyl gold(I), [Au(CN)(C18H21P)]} and tri(m-tolyl)phosphine cyano[tri(m-tolyl)phosphine]gold(I), [AU(CN)(C21H21- P)]) were synthesized and their crystal structures were compared with those of similar complexes. Irrespective of the differences in the anions (CN- versus Cl-) or in the steric and electronic requirements of the various phosphines, the Au-C and Au-P distances are similar in all the compared AuCN complexes. The CN- ligand in each of the two complexes reported here is tilted with respect to the P-Au-C axis, with the Au-C-N angle deviating by about 7.0(1)degrees from linearity.
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Fe: Org.Verb.B1, 1.1.4.4.6.2.1, page 196 - 197
  作者：

  DOI：——

  日期：——
• Casey, M.; Manning, A. R., Journal of the Chemical Society A: Inorganic, Physical, Theoretical, 1971, p. 2989 - 2991
  作者：Casey, M.、Manning, A. R.

  DOI：——

  日期：——