Au(tht)₂OTf | 173096-46-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: Au(tht)₂OTf
• 英文别名: [Au(tetrahydrothiophene)2]OTf；gold(1+);thiolane;trifluoromethanesulfonate
• CAS: 173096-46-3
• 化学式: CF₃O₃S*C₈H₁₆AuS₂
• 分子量: 522.384
• InChiKey: MUZVRWJSFIXPHH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.08
• 重原子数：
  19.0
• 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：
  57.2
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-diphenylphosphino-2-methyl-1,2-dicarba-closo-dodecaborane(12) 、 Au(tht)₂OTf 以 二氯甲烷 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Luminescent Gold and Silver Complexes with the Monophosphane 1-(PPh₂)-2-Me-C₂B₁₀H₁₀ and Their Conversion to Gold Micro- and Superstructured Materials

  摘要：

  Gold and silver complexes containing the monophosphane 1-PPh2-2-Me-1,2-C2B10H10 with different coordination numbers (2, 3) have been synthesized: [M(7,8-(PPh2)(2)-C2B9H10)(1-PPh2-2-Me-C2B10H10)] (M = Ag, Au) and [Au-2(mu-1,n-C2B10H10)(1-PPh2-2-Me-C2B10H10)(2)] (n = 2, 12). Solid-state pyrolysis of [AuCl(1-PPh2-2-Me-C2B10H10)] and [Au-2(mu-1,12-C2B10H10)(1-PPh2-2-Me-C2B10H10)(2)] in air and of solutions of [AuCl(1-PPh2-2-Me-C2B10H10)] deposited on silicon and silica at 800 degrees C results in single-crystal Au, confirmed by diffraction and SEM-EDS. The morphology of the pyrolytic products depends on the thermolytic conditions, and different novel 3-D superstructures or microcrystals are possible. We also propose a mechanism for the thermal conversion of these precursors to structural crystalline and phase pure materials. The presence of the carborane monophosphane seems to originate quenching of the luminescence at room temperature in the complexes [Au-2(mu-1,n-C2B10H10)(1-PPh2-2-Me-C2B10H10)(2)], in comparison with other [Au-2(mu-1,n-C2B10H10)L-2] species (L = monophosphane).

  DOI：

  10.1021/ic5005424
• 作为产物：
  描述：

  四氢噻吩 、 (tetrahydrothiophene)gold(I) chloride 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以81%的产率得到Au(tht)₂OTf
  参考文献：
  名称：

  作为配位金属的金属配体的钯-膦-氨基磺酸盐配合物：多功能，双价行为‡

  摘要：

  与反应性研究的双-螯合的Pd（II）膦基iminolate络合物[钯（DMBA）（κ 2 - P，ö -PPh 2 Ñ C（O）Me）的]（2）（DMBA =邻位二甲基苄胺）已经表明它容易地作为金属配体与造币金属的亲电子配合物发生反应，选择性地通过P，O螯合物的氮原子发生反应。在检查了其与AgOTf（OTf = SO 3 CF 3）的反应后，我们得到了第一个含Ag-Pd键的1-D配位聚合物[{Ag（2）} OTf] n（3 ·OTf）。将其反应与H +，Au（PPh3）+，[AuCl（THT）]，[Au（THT）] BF 4和[Cu（NCMe）4 ] BF 4。根据所使用的亲电金属试剂的性质，2的亚氨基N原子之间的相互作用亲电子试剂可以被正式描述为涉及其孤对的配位键，它将正式将络合物的正电荷更多地置于造币金属上，或者被视为更共价的相互作用，从而导致碳氧键顺序增加，从而正/基本电荷更多地位于

  DOI：

  10.1021/om050156d

文献信息

• A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d¹⁰coinage metals
  作者：Pengfei Ai、Andreas A. Danopoulos、Pierre Braunstein、Kirill Yu. Monakhov

  DOI：10.1039/c3cc47370h

  日期：——

  A novel N,N′-diphosphanyl-imidazol-2-ylidene acts as a stable, hybrid PCNHCP ligand for M2 or linear M3 (M = Cu, Ag, Au) arrays with metallophilic interactions.

  一种新型N,N′-二膦基咪唑-2-亚基作为稳定的混合PCNHCP配体，用于具有金属间相互作用的M2或线性M3（M = Cu、Ag、Au）阵列。
• Unexpected synthesis of an Au₂In₂ tetrametallatricyclic complex from α-aminophosphines and formation of Au–In–P and Ag–In–P nanomaterials
  作者：Hsiao Wei Chen、T. S. Andy Hor、Roberto Pattacini、Pierre Braunstein

  DOI：10.1039/c5dt02457a

  日期：——

  Four Au–(μ-phosphinite)–In units form an unprecedented Au₂In₂ 12-membered metallacycle which intersects at the In centres an 8-membered ring containing two In–μ-phosphinate linkages, resulting in a tricyclic structure.

  四个Au-(μ-膦酰) -In单元形成了一个前所未有的Au2In2 12元金属环，该环与In中心相交，包含两个In-μ-膦酸盐键的8元环，形成了一个三环结构。
• Hetero‐bimetallic Lanthanide‐Coinage Metal Compounds Featuring Possible Metal‐Metal Interactions in the Excited State
  作者：Milena Dahlen、Niklas Reinfandt、Chengyu Jin、Michael T. Gamer、Karin Fink、Peter W. Roesky

  DOI：10.1002/chem.202102430

  日期：2021.11.2

  Rare interactions for rare earths: The trivalent lanthanide compounds [dpfam3Ln] (Ln = La, Nd, dpfam = N,N′-bis[(2-diphenylphosphino)phenyl]formamidinate) were used as scaffold to incorporate Ag+ and Au+ ions, resulting in the hetero-bimetallic compounds [dpfam3LnM][OTf]. The compounds were investigated by photoluminescence spectroscopy and quantum chemical calculations, of which the latter showed

  稀土的罕见相互作用：三价镧系元素化合物 [dpfam 3 Ln]（Ln = La, Nd, dpfam =  N , N'-双[(2-二苯基膦基）苯基]甲脒）作为支架结合 Ag +和 Au +离子，产生异质双金属化合物[dpfam 3 LnM][OTf]。通过光致发光光谱和量子化学计算对这些化合物进行了研究，其中量子化学计算显示出罕见的第一激发态 La−Au 相互作用。
• (Aminophosphane)gold(I) and silver(I) complexes as antibacterial agents
  作者：Lourdes Ortego、Jesús Gonzalo-Asensio、Antonio Laguna、M. Dolores Villacampa、M. Concepción Gimeno

  DOI：10.1016/j.jinorgbio.2015.01.007

  日期：2015.5

  This manuscript describes the synthesis of new Au(I) and Ag(I) complexes with aminophosphane ligands and a study of their antibacterial activity against Gram-negative Salmonella enterica serovar typhimurium and Escherichia coli and Gram-positive Listeria monocytogenes and Staphylococcus aureus. The bactericidal assays revealed the effectiveness of these compounds on paradigm Gram-negative and Gram-positive

  该手稿描述了具有氨基膦配体的新型Au（I）和Ag（I）配合物的合成，以及它们对革兰氏阴性小肠沙门氏菌血清鼠伤寒沙门氏菌和大肠杆菌以及革兰氏阳性单核细胞增生李斯特菌和金黄色葡萄球菌的抗菌活性的研究。杀菌试验显示这些化合物对范式革兰氏阴性和革兰氏阳性病原体有效，对所有不配位PPh的金（I）配合物和银（I）配合物均表现出与参考抗生素相当的中等抗菌活性3组。对于发现具有抑制活性的复合物，在液体肉汤法中进行系列稀释以测定MIC（最小抑菌浓度）和MBC（最小抑菌浓度）。
• 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。