[Au(tht)₂]PF₆ | 129499-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻庚烷
• 英文名称: [Au(tht)₂]PF₆
• 英文别名: [Au(tetrahydrothiophene)2](PF6)；[Au(tetrahydrothiophene)2]PF6；[Au(tht)2]PF6；gold(1+);thiolane;hexafluorophosphate
• CAS: 129499-98-5
• 化学式: C₈H₁₆AuS₂*F₆P
• 分子量: 518.278
• InChiKey: KBWXGHUNAMPIQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.41
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  [Au(tht)₂]PF₆ 、 cis-[Pd(κC-2-C6F4PPh2)2(1,2-bis(diphenylphosphino)ethane)] 以 二氯甲烷 为溶剂， 反应 0.17h， 以95%的产率得到[(dppe)Pd(μ-2-C₆F₄PPh₂)₂Au]PF₆
  参考文献：
  名称：

  双核配合物的形成通过d的添加10 -金属离子，以顺式- [（DPPE）M（κ ç -2-C 6 ˚F 4 PPH 2）2 ]（M =镍，钯，和Pt）

  摘要：

  [（dppe）M（κC-2- C6 F 4 PPh 2）2 ]的反应性（M = Ni（1Ni），Pd（1Pd）和Pt（1Pt）； dppe = 1,2-双（二苯基膦基） ）乙烷））向单价造价金属离子（M'= Cu，Ag和Au）进行了研究。两个主要的异构体[（DPPE）M（κ ç -2-C 6 ˚F 4 PPH 2）（μ-2-C 6 ˚F 4 PPH 2）M'Cl]（2PdAg，2PdAu，2PtCu，2PtAg，和2PtAu）和[（dppe）M（μ-2- C6 F可以检测到4 PPh 2）2 M'Cl]（3PdCu，3PdAg和3PtCu）。量子化学计算托换的增强的热力学稳定性[（DPPE）M（κ ç -2-C 6 ˚F 4 PPH 2）（μ-2-C 6 ˚F 4 PPH 2）M'Cl用于较重的金属的组合。NBO计算揭示了复合物2PtCu和2PtAg中有吸引力的Pt···Cu和Pt···A

  DOI：

  10.1021/acs.organomet.7b00145
• 作为产物：
  描述：

  thallium(I) hexafluorophosphate 、 (tetrahydrothiophene)gold(I) chloride 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 [Au(tht)₂]PF₆
  参考文献：
  名称：

  双核配合物的形成通过d的添加10 -金属离子，以顺式- [（DPPE）M（κ ç -2-C 6 ˚F 4 PPH 2）2 ]（M =镍，钯，和Pt）

  摘要：

  [（dppe）M（κC-2- C6 F 4 PPh 2）2 ]的反应性（M = Ni（1Ni），Pd（1Pd）和Pt（1Pt）； dppe = 1,2-双（二苯基膦基） ）乙烷））向单价造价金属离子（M'= Cu，Ag和Au）进行了研究。两个主要的异构体[（DPPE）M（κ ç -2-C 6 ˚F 4 PPH 2）（μ-2-C 6 ˚F 4 PPH 2）M'Cl]（2PdAg，2PdAu，2PtCu，2PtAg，和2PtAu）和[（dppe）M（μ-2- C6 F可以检测到4 PPh 2）2 M'Cl]（3PdCu，3PdAg和3PtCu）。量子化学计算托换的增强的热力学稳定性[（DPPE）M（κ ç -2-C 6 ˚F 4 PPH 2）（μ-2-C 6 ˚F 4 PPH 2）M'Cl用于较重的金属的组合。NBO计算揭示了复合物2PtCu和2PtAg中有吸引力的Pt···Cu和Pt···A

  DOI：

  10.1021/acs.organomet.7b00145

文献信息

• Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species
  作者：Suresh Bhargava、Kunihiko Kitadai、Takahashi Masashi、Daniel W. Drumm、Salvy P. Russo、Vivian Wing-Wah Yam、Terence Kwok-Ming Lee、Jörg Wagler、Nedaossadat Mirzadeh

  DOI：10.1039/c2dt11722c

  日期：——

  A mixture of cyclic gold(I) complexes [Au2(μ-cis-dppen)2]X2 (X = OTf 1, PF63) and [Au(cis-dppen)2]X (X = OTf 2, PF64) is obtained from the reaction of [Au(tht)2]X (tht = tetrahydrothiophene) with one equivalent of cis-dppen [dppen = 1,2-bis(diphenylphosphino)ethylene]. The analogous reaction with trans-dppen or dppa [dppa = bis(diphenylphosphino)acetylene] affords the cyclic trinuclear [Au3(μ-trans-dppen)3]X3 (X = OTf 11, PF612) and tetranuclear [Au4(μ-dppa)4]X4 (X = OTf 13, PF614, ClO415) gold complexes, respectively. Recrystallization of 15 from CH2Cl2/MeOH yielded a crystal of the octanuclear gold cluster [Au8Cl2(μ-dppa)4](ClO4)216. Attempts to prepare dicationic binuclear gold(II) species from the reaction of a mixture of 3 and 4 with halogens gave a mixture of products, the components of which confirmed to be acyclic binuclear gold(I) [Au2X2(cis-dppen)] (X = I 5, Br 7) and cyclic mononuclear gold(III) [AuX2(cis-dppen)]PF6 (X = I 6, Br 8) complexes. Complexes 11–14 reveal weak emission in butyronitrile glass at 77 K, but they are non-emissive at room temperature. Ab initio modelling was performed to determine the charge state of the gold atoms involved. Extensive structural comparisons were made to experimental data to benchmark these calculations and rationalize the conformations.

  [Au2(μ-顺式-dppen)2]X2（X = OTf 1，PF63）和[Au(顺式-dppen)2]X（X = OTf 2，PF64）的环状金（I）配合物混合物是由[Au(tht)2]X（tht = 四氢噻吩）与一当量的顺式-dppen [dppen = 1,2-双（二苯基膦）乙烯]反应得到的。与反式-dppen 或 dppa [dppa = 双（二苯基膦）乙炔] 进行类似反应，可分别得到环状三核 [Au3(μ-反式-dppen)3]X3（X = OTf 11，PF612）和四核 [Au4(μ-dppa)4]X4（X = OTf 13，PF614， 15）金配合物。从 CH2Cl2/MeOH 中重结晶 15 得到了八核金簇合物 [Au8Cl2(μ-dppa)4](ClO4)216。尝试从 3 和 4 的混合物与卤素的反应中制备二阳离子双核金 (II) 物种，得到了混合物产物，其中的成分被证实为非环双核金 (I) [Au2X2(cis-dppen)] (X = I 5, Br 7) 和环单核金 (III) [AuX2(cis-dppen)]PF6 (X = I 6, Br 8) 配合物。络合物 11-14 在 77 K 的丁腈玻璃中显示出微弱的发射，但在室温下则无发射。为了确定相关金原子的电荷状态，我们进行了 Ab initio 建模。与实验数据进行了广泛的结构比较，以便为这些计算提供基准并使构象合理化。
• Crystallographic, Electrochemical, and Electronic Structure Studies of the Mononuclear Complexes of Au(I)/(II)/(III) with [9]aneS₂O ([9]aneS₂O = 1-oxa-4,7-dithiacyclononane)
  作者：Deguang Huang、Xiaofeng Zhang、Eric J. L. McInnes、Jonathan McMaster、Alexander J. Blake、E. Stephen Davies、Joanna Wolowska、Claire Wilson、Martin Schröder

  DOI：10.1021/ic8010037

  日期：2008.11.3

  The mononuclear macrocyclic complexes [Au(I)([9]aneS2O)2]BF4 x MeCN 1a, [Au(II)([9]aneS2O)2](BF4)2 x 2 MeCN 2a, and [Au(III)([9]aneS2O)2](ClO4)6(H5O2)(H3O)2 3 ([9]aneS2O = 1-oxa-4,7-dithiacyclononane) have been prepared and structurally characterized by single crystal X-ray crystallography. The oxidation of [Au([9]aneS2O)2](+) to [Au([9]aneS2O)2](2+) involves a significant reorganization of the co-ordination

  单核大环配合物[Au（I）（[9] aneS2O）2] BF4 x MeCN 1a，[Au（II）（[9] aneS2O）2]（ ）2 x 2 MeCN 2a和[Au（III） （[9] aneS 2 O）2]（ClO 4）6（H 5 O 2）（H 3 O）2 3（[9] ane S 2 O ＝ 1-oxa-4，7-二硫代环壬烷）已经被制备并且通过单晶X射线晶体学表征。[Au（[9] aneS2O）2]（+）氧化为[Au（[9] aneS2O）2]（2+）涉及配位球从[Au（ [9] aneS2O）2]（+）[Au-S 2.3363（12），2.3877（12），2.6630（11），2.7597（13）A]在[Au（[ 9] aneS2O）2]（2+）。[Au（[9] aneS2O）2]（2+）中的O供体占据了以Au（II）中心为中心的轴向位置[Au ... O = 2.718（2）
• Porphyrin-Stoppered [3]- and [5]-Rotaxanes
  作者：Nathalie Solladié,、Jean-Claude Chambron、Jean-Pierre Sauvage

  DOI：10.1021/ja9824829

  日期：1999.4.1

  A dicopper(I)-complexed [3]-rotaxane was prepared in 34% yield by a transition-metal-templated strategy involving a bis-chelating molecular thread, macrocycles incorporating the complementary chelating unit, and porphyrin stoppers as key components. A tetracopper(I)-complexed [5]-rotaxane was obtained as a byproduct in 8% yield. Coordination chemistry was performed either at the 2,9-diphenyl-1, 10-phenanthroline (dpp) chelates or at the porphyrin stoppers. The latter were metalated by either Zn(II), Au(III), or Zn(II) and Au(III). Both Cu(I) template cations could be removed by competitive complexation with CN- when at least one porphyrin stopper was complexed with Au(III), the other one being metalated with either Au(III) or Zn(II). This provided two strictly defined [3]-rotaxanes, in which the macrocycle and the molecular thread are not held together by metal coordination. Rather, dethreading is prevented by the bulky metalloporphyrin stoppers. Unexpectedly, when both stoppers were complexed with Zn(II), removal of the metal template in the same conditions as above yielded, very selectively, a copper(I)-complexed [3]-rotaxane containing only one metal-free macrocycle. The demetalated bis-dpp site could be remetalated with Ag(I), affording, in good yield, a dinuclear (Ag(I), Cu(I))-complexed [3]-rotaxane, ended by Zn(II)-porphyrin blocking groups.
• Manzano, Blanca; Jalon, Felix; Matthes, Jochen, Journal of the Chemical Society, Dalton Transactions, 1997, # 18, p. 3153 - 3159
  作者：Manzano, Blanca、Jalon, Felix、Matthes, Jochen、Sabo-Etienne, Sylviane、Chaudret, Bruno、Ulrich, Stefan、Limbach, Hans-Heinrich

  DOI：——

  日期：——
• Blake, Alexander J.; Li, Wan-Scheung; Lippolis, Vito, Journal of the Chemical Society, Dalton Transactions, 1998, # 7, p. 2931 - 2938
  作者：Blake, Alexander J.、Li, Wan-Scheung、Lippolis, Vito、Taylor, Anne、Schroeder, Martin

  DOI：——

  日期：——