Au(bis(2-pyridyl)-phenylphosphine)Cl | 83827-01-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Au(bis(2-pyridyl)-phenylphosphine)Cl
• 英文别名: Chloro(phenyldi-2-pyridylphosphan)gold(I)；[AuCl(bis(2-pyridyl)phenylphosphine)]；[AuCl2(PPhpy2)]；gold(1+);phenyl(dipyridin-2-yl)phosphane;chloride
• CAS: 83827-01-4
• 化学式: C₁₆H₁₃AuClN₂P
• 分子量: 496.686
• InChiKey: ZFLDMUALNNSSSO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.76
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  bis(benzonitrile)dichloroplatinum(II) 、 Au(bis(2-pyridyl)-phenylphosphine)Cl 以 二氯甲烷 为溶剂， 以72%的产率得到trans-[PtCl2(AuCl(μ-bis(2-pyridyl)phenylphosphine))2]
  参考文献：
  名称：

  Heteropolynuclear Gold Complexes with Metallophilic Interactions: Modulation of the Luminescent Properties

  摘要：

  Metalloligands of stoichiometry [AuCl(P-N)] have been obtained by the reaction of the heterofunctional phosphines P-N = PPh(2)py, PPh(2)CH(2)CH(2)py, or PPhpy(2) with [AuCl(tht)] (tht = tetrahydrothiophene). Reactions of these metalloligands with several metal compounds have afforded heteropolynuclear species which exhibit luminescent properties. The stoichiometries depend on the molar ratio and the heterometal. Thus, the reaction with [Cu(NCMe)(4)](+) in a molar ratio 2:1 gives the trinuclear compounds Au2CuCl2(P-N)(2)](+) in which the structure and Au...Cu interactions depend on the phosphine ligand. With rhodium and iridium derivatives the reactivity is different leading to complexes of the type [AuMCl2(cod)(P-N)] for P N = PPh(2)py, PPhpy(2), and [Au2M2C1(cod)2(P N)21C1 with PPh(2)CH(2)CH(2)py. Using [MCl2(NCPh)2] (M = Pd, Pt) in a 2:1 molar ratio yields [Au2MCI4(P N)21 and in a 1:1 molar ratio [AuPdC13(y3-PPhpy(2))]. Several compounds have been characterized by X-ray diffraction showing in many cases short Au...M distances. The luminescence of these derivatives has been studied. The metalloligands display bands assigned to intraligand (IL) transitions. For the bimetallic (Au/M) systems the luminescence depends on the heterometal present and on the metallophilic interactions. The most important excitations in the relevant energy range were assigned essentially a MMLCT character (from Rh/Ir and Au to ligands) based on density functional theory (DFT) calculations in selected complexes. The luminescence behavior in Rh/Ir [AuMC12(cod)(PPh2py)1 complexes was interpreted on the basis of the different nature of the half occupied orbitals in the triplet state.

  DOI：

  10.1021/ic100413x
• 作为产物：
  描述：

  carbonylgold(I) chloride 、 2,2'-(苯基膦二基)二吡啶 以 苯 为溶剂， 以53%的产率得到Au(bis(2-pyridyl)-phenylphosphine)Cl
  参考文献：
  名称：

  Inoguchi, Yoshio; Milewski-Mahrla, Beatrix; Schmidbaur, Hubert, Chemische Berichte, 1982, vol. 115, # 9, p. 3085 - 3095

  摘要：

  DOI：

文献信息

• Unprecedented Luminescent Heteropolynuclear Aggregates with Gold Thiolates as Building Blocks
  作者：Olga Crespo、M. Concepción Gimeno、Antonio Laguna、Fernando J. Lahoz、Carmen Larraz

  DOI：10.1021/ic201245q

  日期：2011.10.3

  phosphine ligand. The treatment of [Au(SC6F5)(PPh2py)] with silver and copper compounds in other molar ratios has been carried out. In a 2:1 ratio, the complexes [Au2M(μ-SC6F5)2(μ-PPh2py)2]X (M = Ag, X = OTf (12); M = Cu, X = PF6 (13)) are obtained. The same reaction in a 4:3 molar ratio affords the species [Au4M2(μ-SC6F5)3(μ-PPh2py)4]X3 (M = Ag, X = OTf (14); M = Cu, X = PF6 (15)). The crystal structures

  [AuCl（P–N）]与五氟硫酚HSC 6 F 5的反应，其中P–N代表杂功能膦配体，得到硫醇盐金衍生物[Au（SC 6 F 5）（P–N）] （PN = PPh 2 py（1），PPh 2 CH 2 CH 2 py（2）或PPhpy 2（3））。配合物[Au（SC 6 F 5）（PPh 2 py）]（1）与[Au（OTf）（PPh 2 py）]以1：1或1：2的摩尔比反应，生成双核或三核物质[Au 2（μ-SC6 ˚F 5）（PPH 2 PY）2 ]光学传递函数（4）和[金3（μ 3 -SC 6 ˚F 5）（PPH 2 PY）3 ]（OTF）2（5）中，用硫醇盐充当双或三重桥联配体。已经研究了不同比例的单核化合物[Au（SC 6 F 5）（P–N）]对银或铜盐的反应性。因此，用Ag（OTf）或[Cu（NCMe）4 ] PF 6处理[Au（SC 6 F 5）（PN）]以1：1的摩尔比给出的
• Au₂₀ Nanocluster Protected by Hemilabile Phosphines
  作者：Xian-Kai Wan、Zhi-Wei Lin、Quan-Ming Wang

  DOI：10.1021/ja307256b

  日期：2012.9.12

  A novel phosphine-protected Au-20 nanocluster was isolated through the reduction of Au(PPhpy(2)) Cl by NaBH4 (PPhpy(2) = bis(2-pyridyl)-phenylphosphine). Its composition was determined to be [Au-20(PPhpy(2))(10)Cl-4]Cl-2, and single crystal X-ray structural analysis revealed that the Au-20 core can be viewed as being generated from the fusion of two Au-11 clusters via sharing two vertices. Optical absorption spectroscopy indicated this Au-20 has a large HOMO-LUMO gap (E-g approximate to 2.24 eV). This is the first example of a ligand-protected gold nanocluster with a core generated from incomplete icosahedral Au-11 building units.