palladium-gold | 501697-91-2

• 分子结构分类: 无机化合物 - 均相金属化合物 - 均相过渡金属化合物
• 英文名称: palladium-gold
• 英文别名: Palladio-gold；gold;palladium
• CAS: 501697-91-2
• 化学式: AuPd
• 分子量: 303.387
• InChiKey: BBKFSSMUWOMYPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  氢气 、 palladium-gold 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Alloying effects on the hydrogen-storage capability of Pd–TM–H (TM=Cu, Au, Pt, Ir) systems

  摘要：

  Pressure-composition isotherms and the magnetic susceptibilities of Pd-TM-H (TM = Cu, Au, Pt, and Ir) systems were measured at ambient temperature, and the effects of alloying between Pd and transition metals on the hydrogen storage capability of these Pd-TM alloys were investigated by considering their electronic band structures. All of the magnetic susceptibilities for the Pd-TM-H systems decreased linearly with hydrogen uptake. For the Pd-Cu alloy, the magnetic susceptibility was nearly zero at the terminal composition of hydrogen in the plateau region obtained from the pressure-composition isotherm, and the terminal composition decreased with increasing Cu substitution. These results indicated that the hydrogen-storage capability was proportional to the amount of unoccupied d states in the electronic band structure of the Pd-Cu alloy. The Pd-Au-H system exhibited substantially the same behavior as the Pd-Cu-H system. For the Pd-Pt and Pd-Ir alloys, the magnetic susceptibility at the terminal composition of hydrogen in the plateau exhibited a finite positive value, indicating that the unoccupied d states in the Pd-Pt and Pd-Ir alloys were not filled when the maximum quantity of hydrogen was stored in the alloys. These finite magnetic susceptibilities at the terminal composition of hydrogen in the plateau region were explained by the structural modification of the unoccupied d states in the electronic band structures due to alloying. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jallcom.2014.06.118
• 作为产物：
  描述：

  tetraamminepalladium(II) tetrachloroaurate (III) 在 hydrazine hydrate 作用下， 以 neat (no solvent) 为溶剂， 生成 palladium-gold
  参考文献：
  名称：

  Synthesis, crystal structure, and thermal properties of [Pd(NH3)4][AuCl4]2

  摘要：

  The double complex salt [Pd(NH3)(4)][AuCl4](2) was synthesized and studied by X-ray diffraction: a = 7.5234(6) angstrom, b = 7.7909(5) angstrom, c = 8.0247(6) angstrom, alpha = 108.483(2)degrees, beta = 106.497(2)angstrom, gamma = 99.972(3)angstrom, V = 409.43(5) angstrom(3), space group P (1) over bar, Z = 1, rho(calod) = 3.456 g/cm(3), R = 0.0267. The compound was characterized by powder X-ray diffraction, thermal analysis, and IR and Raman spectroscopy. The metal products of thermolysis of the complex were studied by powder X-ray diffraction.

  DOI：

  10.1134/s0036023607030138
• 作为试剂：
  描述：

  乙烷 在 palladium-gold 、 双氧水 作用下， 以 水 为溶剂， 21.0 ℃ 、100.0 kPa 条件下， 反应 1.0h， 生成 氫過氧化乙基
  参考文献：
  名称：

  AuPd催化剂在室温和大气压下将乙烷水溶液部分氧化为含氧化合物

  摘要：

  已经提出了基于小型，分布式设施的新型化学生产模式，以补充化学工业中许多现有的生产操作，包括从轻烷烃合成增值产品。受该前景的影响，本文研究了在无载体的AuPd纳米颗粒催化剂上乙烷的水性部分氧化，重点是在21°C和1 bar乙烷条件下发生的反应结果。当H 2 O 2用作氧化剂时，系统会生成大量C 2含氧化合物，包括氢过氧化物/乙醇，乙醛和乙酸。已发现氢过氧化物乙酯是乙烷直接氧化的主要产物：在间歇反应中以较短的持续时间和较低的初始H 2 O 2浓度以100％的选择性生产。在更长的时间或在更多的氧化条件下，预期会发生更深的产物氧化。在分批实验中，观察到的最大含氧化合物收率为7707μmolg AuPd -1 h -1。当顶部空间中的H 2 O 2替换为H 2和O 2时，产品分布会有所不同。此外，模拟其中H在现场生成2 O 2，并研究在50 h内稳定，低H 2 O 2浓度下的乙烷氧化，采用半间歇式结构，便于连续注入稀H

  DOI：

  10.1039/d0cy01526a

文献信息

• Gold/Palladium Bimetallic Alloy Nanoclusters Stabilized by Chitosan as Highly Efficient and Selective Catalysts for Homocoupling of Arylboronic Acid
  作者：Onsulang Sophiphun、Jatuporn Wittayakun、Raghu Nath Dhital、Setsiri Haesuwannakij、Arumugam Murugadoss、Hidehiro Sakurai

  DOI：10.1071/ch12175

  日期：——

  Aerobic oxidative homocoupling of arylboronic acid under acidic aqueous conditions (pH 4.0) using bimetallic Au/Pd alloy nanoclusters stabilized by chitosan has been investigated. It was found that a Au0.81Pd0.19 catalyst (3.1 ± 0.8 nm) exhibited superior catalytic activities as compared to monometallic Au (2.3 ± 0.3 nm) and other series of bimetallic nanoclusters, giving the corresponding biaryls in nearly quantitative yield.

  研究人员利用壳聚糖稳定的双金属金/钯合金纳米团簇，研究了在酸性水溶液条件（pH 4.0）下芳基硼酸的有氧氧化均偶联反应。研究发现，与单金属金（2.3 ± 0.3 nm）和其他系列的双金属纳米簇相比，Au0.81Pd0.19 催化剂（3.1 ± 0.8 nm）具有更高的催化活性，几乎可以定量生成相应的双芳基化合物。
• Pd-Modified ZnO–Au Enabling Alkoxy Intermediates Formation and Dehydrogenation for Photocatalytic Conversion of Methane to Ethylene
  作者：Wenbin Jiang、Jingxiang Low、Keke Mao、Delong Duan、Shuangming Chen、Wei Liu、Chih-Wen Pao、Jun Ma、Shuaikang Sang、Chang Shu、Xiaoyi Zhan、Zeming Qi、Hui Zhang、Zhi Liu、Xiaojun Wu、Ran Long、Li Song、Yujie Xiong

  DOI：10.1021/jacs.0c10369

  日期：2021.1.13

  intriguing approach for the conversion of methane to multicarbon (C2+) compounds under mild conditions; however, with methyl radicals as the sole reaction intermediate, the current C2+ products are dominated by ethane, with a negligible selectivity toward ethylene, which, as a key chemical feedstock, possesses higher added value than ethane. Herein, we report a direct photocatalytic methane-to-ethylene conversion

  光催化为在温和条件下将甲烷转化为多碳 (C2+) 化合物提供了一种有趣的方法；然而，由于甲基自由基作为唯一的反应中间体，目前的 C2+ 产品以乙烷为主，对乙烯的选择性可以忽略不计，而乙烯作为一种关键的化学原料，具有比乙烷更高的附加值。在此，我们报告了一种直接光催化甲烷到乙烯的转化途径，该途径涉及烷氧基（即甲氧基和乙氧基）中间体在 Pd 改性的 ZnO-Au 混合催化剂上的形成和脱氢。基于各种原位表征，表明催化剂的 Pd 诱导脱氢能力是开启该途径的关键。在反应过程中，甲烷分子首先在 Pd 的帮助下在 ZnO 表面解离成甲氧基。然后这些甲氧基中间体进一步脱氢并与甲基偶联成乙氧基，乙氧基随后可以通过脱氢转化为乙烯。因此，优化的 ZnO-AuPd 杂化物在 Au 晶格中具有原子分散的 Pd 位点，甲烷转化率为 536.0 μmol g-1，C2+ 化合物选择性为 96.0%（C2H4 和 C2H6
• Rapid, General Synthesis of PdPt Bimetallic Alloy Nanosponges and Their Enhanced Catalytic Performance for Ethanol/Methanol Electrooxidation in an Alkaline Medium
  作者：Chengzhou Zhu、Shaojun Guo、Shaojun Dong

  DOI：10.1002/chem.201202909

  日期：2013.1.14

  this simple method has also been applied for the synthesis of AuPt, AuPd bimetallic, and AuPtPd trimetallic alloy nanosponges. The as‐synthesized three‐dimensional bimetallic/trimetallic alloy nanosponges, because of their convenient preparation, well‐defined sponge‐like network, large‐scale production, and high electrocatalytic performance for ethanol/methanol electrooxidation, may find promising potential

  我们已经证明了在没有封端剂的情况下合成新型三维PdPt双金属合金纳米海绵的快速通用策略。值得注意的是，所制备的PdPt双金属合金纳米海绵在碱性介质中对乙醇/甲醇电氧化具有显着增强的活性和稳定性，这证明了将这些PdPt双金属合金纳米海绵作为直接乙醇燃料电池的有效电催化剂的潜力。另外，这种简单的方法也已经用于合成AuPt，AuPd双金属和AuPtPd三金属合金纳米海绵。合成后的三维双金属/三金属合金纳米海绵，由于其制备方便，定义明确的海绵状网络，大规模生产，
• Synergistic effect of bimetallic PdAu nanocrystals on oxidative alkyne homocoupling
  作者：Zheng Chen、Rongan Shen、Chen Chen、Jinpeng Li、Yadong Li

  DOI：10.1039/c8cc06744a

  日期：——

  Bimetallic PdAu nanocrystals with different component ratios were obtained to investigate alkyne homocoupling. We found that the synergistic effect of Pd and Au plays an important role in the reaction. Alkynes with a variety of substituent groups could efficiently be converted into the corresponding 1,3-diynes through oxidative coupling.

  获得了具有不同组分比率的双金属PdAu纳米晶体，以研究炔烃的均相耦合。我们发现Pd和Au的协同作用在反应中起重要作用。具有多种取代基的炔烃可通过氧化偶合有效地转化为相应的1,3-二炔。
• Interaction of carbon monoxide with small metal clusters: a DFT, electrochemical, and FTIR study
  作者：Brian D. Adams、Robert M. Asmussen、Aicheng Chen、Robert C. Mawhinney

  DOI：10.1139/v11-120

  日期：2011.12

  The adsorption of CO molecules onto small metal clusters was studied using density functional theory (DFT) calculations, and experimental electrochemical and attenuated total reflection-Fourier transform infrared spectroscopic (ATR-FTIR) techniques were used to examine CO adsorbed onto nanostructures of similar composition. The adsorption strengths and CO vibrational stretching frequencies were calculated and analyzed for clusters of the form M–CO for all of the period 4, 5, and 6 d-block transition metals. A direct link between the ν_CO and the population of d orbitals of the metal was observed. All possible binding sites for CO on clusters of the form Pd₄–CO, Pd₂Pt₂–CO, and Pd₂Au₂–CO were determined and the corresponding adsorption energies and CO stretching frequencies were examined. Pure Pd and bimetallic PdPt and PdAu nanostructures were fabricated and used as catalysts for the adsorption and electrochemical oxidation of CO. The relative quantities of CO molecules adsorbed to surface of the catalysts decrease in the order of PdPt > Pd > PdAu, consistent with our DFT results. The location of ν_CO bands of CO adsorbed onto the nanostructured catalysts were determined by means of ATR-FTIR spectroscopy and were found to have values close to that predicted by DFT. This paper shows that DFT calculations on very small metal clusters M_n–CO (n ≤ 4) can be a simple but effective way of screening catalysts for their adsorbing properties.

  使用密度泛函理论（DFT）计算研究了CO分子在小金属团簇上的吸附，同时利用实验电化学和衰减全反射-傅里叶变换红外光谱（ATR-FTIR）技术来研究CO吸附在类似成分的纳米结构上。计算和分析了所有4、5和6周期d-块过渡金属形式M–CO团簇的吸附强度和CO振动伸展频率。观察到CO的νCO与金属d轨道的占据数之间存在直接联系。确定了Pd4–CO、Pd2Pt2–CO和Pd2Au2–CO形式团簇上CO的所有可能结合位点，并研究了相应的吸附能和CO伸展频率。制备了纯Pd和双金属PdPt、PdAu纳米结构，并将其用作CO的吸附和电化学氧化催化剂。吸附在催化剂表面上的CO分子的相对量按照PdPt > Pd > PdAu的顺序减少，与我们的DFT结果一致。通过ATR-FTIR光谱确定了CO吸附在纳米结构催化剂上的νCO带的位置，并发现其值接近DFT预测值。本文表明，对于非常小的金属团簇Mn–CO（n≤4），DFT计算可以是筛选催化剂吸附性能的简单而有效的方法。