(3-hydroxy-3-methylbut-1-yn-1-yl)gold(I) | 1359219-11-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-hydroxy-3-methylbut-1-yn-1-yl)gold(I)
• CAS: 1359219-11-6
• 化学式: C₅H₇AuO
• 分子量: 280.076
• InChiKey: IEKCHBJNNZXTKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.26
• 重原子数：
  7.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (3-hydroxy-3-methylbut-1-yn-1-yl)gold(I) 、 1,5-bis(p-tolyl)-3,7-bis(pyridine-2-yl)-1,5-diaza-3,7-diphosphacyclooctane 以 二氯甲烷 为溶剂， 反应 0.5h， 以86%的产率得到
  参考文献：
  名称：

  在柔性环状膦配体上模板化的双核金（I）膦炔基配合物：合成和固态发光的一些特征。

  摘要：

  柔性双齿环状膦，即1,5-双（对甲苯基）-3,7-双（吡啶-2-基）-1,5-二氮杂3,7-二磷酸环辛烷（PNNP）被用作模板以构建双核杂多膦膦炔基络合物家族[PNNP（AuC2R）2]，R = Ph，C6H10OH，C5H8OH，（CH3）2COH，Ph2COH。通过CHN元素分析，NMR光谱和单晶X射线分析对所有获得的配合物进行表征。发现金（I）配合物表现出不同的晶体结构组织，这取决于共结晶溶剂（二氯甲烷，丙酮和乙腈）的性质，这是因为通过氢键形成了超分子配合物。这些弱相互作用似乎决定构象，堆积，在光物理性质中反映的柔性复杂分子的空间和空间合作，已在溶液和固态下进行了仔细研究。该配合物在室温下显示出溶液中的弱发射，并且冻结导致发射的蓝移，其伴随着发光强度的显着增加。从二氯甲烷中分离出来的所有金（I）配合物在固态下均显示绿色磷光，R = Ph和Ph2COH的配合物分别在从丙酮和乙腈中重结晶

  DOI：

  10.1021/acs.inorgchem.9b02091

文献信息

• Gold(I) Alkynyls Supported by Mono- and Bidentate NHC Ligands: Luminescence and Isolation of Unprecedented Ionic Complexes
  作者：Alexander A. Penney、Galina L. Starova、Elena V. Grachova、Vladimir V. Sizov、Mikhail A. Kinzhalov、Sergey P. Tunik

  DOI：10.1021/acs.inorgchem.7b01508

  日期：2017.12.18

  by crystallization. With increased reaction time, only the expected mononuclear complexes of the type [NHCAuC≡CR] are produced. The crystal structure of [(NHC)2Au]2[(PhC2)2Au]PF6 reveals an unprecedented triple-decker array upheld by a remarkably short (2.9375(7) Å) unsupported Au···Au···Au contact. The mononuclear complex [NHCAuC≡CPh] was found to crystallize as three distinct polymorphs and a pseudopolymorph

  NHC·HX（NHC = 1-苄基-3-甲基苯并咪唑-2-基，X = Br –，PF 6 –）和（AuC≡CR）n（R = Ph，C 3 H 6 OH）的反应首先，由Cs 2 CO 3制备的通式为[（NHC）2 Au] 2 [（RC 2）2 Au] X的化合物可以通过结晶分离。随着反应时间的增加，仅产生预期的[NHCAuC≡CR]类型的单核复合物。[（NHC）2 Au] 2 [（PhC 2）2 Au] PF 6的晶体结构揭示了一个空前的三层阵列，由非常短的（2.9375（7）Å）无支撑的Au···Au···Au接触支撑。发现单核络合物[NHCAuC≡CPh]结晶为三个不同的多晶型物和假多晶型物，这取决于分子间的Au···Au距离发出蓝色，绿色或黄色的光。两种合成方法用于制备一系列由双核NHC连接的通式[NHC-（CH 2）n -NHC（AuC≡CR）2 ]的Au（I）炔基配合物，其中NHC
• Solution <i>versus</i> solid-state dual emission of the Au(<scp>i</scp>)-alkynyl diphosphine complexes <i>via</i> modification of polyaromatic spacers
  作者：Andrey Belyaev、Ilya Kolesnikov、Alexei S. Melnikov、Vladislav V. Gurzhiy、Sergey P. Tunik、Igor O. Koshevoy

  DOI：10.1039/c9nj03426a

  日期：——

  of new materials with unconventional photophysical behavior. In this work, a family of diphosphine ligands PPh2–PAH–PPh2 with variable polyaromatic hydrocarbon (PAH) spacers (PAH = 9,10-anthracene L1, 1,4-naphthalene L2, 2,6-naphthalene L3, and their diethynyl congeners L4–L6) were employed to prepare gold(I) complexes (RC2Au)PPh2–PAH–PPh2(AuC2R) (1–22), containing a selection of alkynyl groups. Investigation

  具有多种发射能力的单分子发光体对于开发具有非常规光物理行为的新材料至关重要。在这项工作中，二膦的家族的配体PPH 2 -PAH-PPH 2具有可变多环芳烃（PAH）间隔物（PAH = 9,10-蒽L1，1,4-萘L2，2,6-萘L3，和它们的用二乙炔同系物L4–L6制备金（I）络合物（RC 2 Au）PPh 2 –PAH–PPh 2（AuC 2 R）（1–22），其中包含一个炔基基团。它们的光学性质的研究表明与基于蒽的二膦（即化合物1-4和13-16）仅显示1 IL（ππ*）荧光与Φ EM高达93％。然而，萘和二乙炔基萘二膦配合物（5-12和17-22）在固态和溶液中表现出全色发射，其特征是低能和高能信号充分分离，其源于1 IL（ππ*）和3 IL（ππ*）跃迁以及从金属到配体的一定贡献以及从配体到配体的电荷转移。
• Synthesis, characterization and photophysical properties of gold(I)–copper(I) alkynyl clusters with 1,4-bis(diphenylphosphino)butane, effect of the diphosphine ligand on luminescence characteristics
  作者：Ilya S. Krytchankou、Dmitry V. Krupenya、Vladislav V. Gurzhiy、Andrey A. Belyaev、Antti J. Karttunen、Igor O. Koshevoy、Alexey S. Melnikov、Sergey P. Tunik

  DOI：10.1016/j.jorganchem.2012.09.003

  日期：2013.1

  with those observed in the congeners based on the aromatic diphosphine (PPh2C6H4PPh2) showed considerable blue shift of the emission band maxima in the complexes under study. The theoretical DFT calculations indicated that the triplet emission in 1–7 is mainly determined by electron transitions inside the cluster core with some admixture of MLCT character, the contribution of which plays more important

  AuC 2 R} n聚合物的反应（R = –C 6 H 4 NO 2，–C 6 H 5，–C 6 H 4 Ph，–C 6 H 4 OMe，–C 6 H 4 NMe 2，- C（OH）Me 2，–C 6 H 10（OH））与化学计量的1,4-双（二苯基膦基）丁烷和Cu（I）离子提供通式[Au 6 Cu 2（C 2 -R）6（PPh 2（CH 2）4 PPh 2）3 ]（PF 6）2。得到的（化合物1 - 7显示常见的“棒式带”与“的Cu结构基序）2 的Au（C 2 R）2 } 3 ”中央集群由的Au缠绕芯3（PH 2（P CH 2）4 PPh 2）3 }皮带。通过X射线晶体学以固态显示该结构图案，并使用NMR光谱法在溶液中确认该结构图案。配合物6和7在炔基配体中含有羟基取代基的化合物显示出由于簇核心内部的氢键而导致的结构变形。所有研究的配合物在二氯甲烷溶液中均表现出强烈的磷光，其特征取
• Low-Nuclearity Alkynyl d¹⁰ Clusters Supported by Chelating Multidentate Phosphines
  作者：Andrey Belyaev、Thuy Minh Dau、Janne Jänis、Elena V. Grachova、Sergey P. Tunik、Igor O. Koshevoy

  DOI：10.1021/acs.organomet.6b00701

  日期：2016.11.14

  The coordination chemistry of the tri- and tetradentate chelating phosphines (2-PPh2C6H4)(2)P(O)Ph ((PO)-O-3) and (2-PPh2C6H4)(3)P (P-4) with respect to d(10) copper subgroup metal ions has been investigated. Depolymerization of (MC2R)(n) (M = Cu, Ag) with P-4 affords the series of mono and trinudear complexes (P-4)CuC2Ph (1), (P-4)Cu-3(C2Ph)(3) (2), (P-4)Ag-3(C2Ph) (Hal)(2) (Hal = Cl (3), Br (4), I (5)). Reactions of the M+ (M = Cu, Ag) ions with (M'C2R)(n) (M' = Cu, Ag, Au) acetylides in the presence of P-4 yield the family of dinuclear species [(P-4)MM'(C2R)](+) (6-12), which comprise the Cu-2/Ag-2 (6, 7; R = Ph), AuCu (8-10; R = Ph, C(OH)Me-2, C(OH)Ph-2), and AuAg (11, 12; R = Ph, C(OH)Ph-2) metal cores. A related triphosphine, (2-PPh2C6H4)(2)PPh (P-3), applied in a similar protocol undergoes partial oxidation and leads to the heterotrimetallic clusters [((PO)-O-3)M}(2)Au(C2R)(2)](+) (M = Cu, R = C(OH)Ph-2, 13; M = Ag, R = C(OH)Ph-2, 14; M = Ag, R = Ph, 15), which can be prepared more efficiently starting from the oxidized ligand (PO)-O-3. The structures of the complexes 1-4 and 6-15 were established by single-crystal X-ray crystallography. According to the variable-temperature H-1 and P-31H-1} NMR experiments, compounds 1-12 demonstrate fluxional behavior in solution. The title complexes do not show appreciable luminescence in solution at 298 K, and the photophysical properties of 1-15 were studied in the solid state. The observed phosphorescence (Phi(em) up to 0.46, lambda(em) from 440 to 635 nm) is assigned to cluster-centered transitions mixed with some MLCT d -> pi*(alkynyl) character.