Pd2Cl2(μ-1,1-bis(diphenylphosphino)ethane)2 | 134001-67-5

• 英文名称: Pd2Cl2(μ-1,1-bis(diphenylphosphino)ethane)2
• 英文别名: syn-[Pd2Cl2(1,1-bis(diphenylphosphino)ethane)2]
• CAS: 134001-67-5；104549-22-6
• 化学式: C₅₂H₄₈Cl₂P₄Pd₂
• 分子量: 1080.59
• InChiKey: IJQDUQAXAVVDEE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  12.57
• 重原子数：
  60.0
• 可旋转键数：
  8.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.08
• 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：

  硫化氢 、 Pd2Cl2(μ-1,1-bis(diphenylphosphino)ethane)2 以 二氯甲烷 为溶剂， 生成 syn-Pd2Cl2(μ-S)(μ-dpmMe)2
  参考文献：
  名称：

  Barnabas, A. Freddy; Sallin, Dominique; James, Brian, R., Canadian Journal of Chemistry, 1989, vol. 67, p. 2009 - 2015

  摘要：

  DOI：

文献信息

• Use of hydrogen selenide for synthesis of binuclear palladium complexes containing bridging selenide, and their conversion into novel dimetallic selenoxides
  作者：Gabor Besenyei、Chung-Li Lee、Brian R. James

  DOI：10.1039/c39860001750

  日期：——

  The complexes [Pd2Cl2µ-PPh2CH(R)PPh2}2], where R = H or Me, react with H2Se or elemental Se to yield the bridging-selenide derivatives [Pd2Cl2(µ-Se)µ-PPh2CH(R)PPh2}2]; these, on treatment with ButOOH, yield the corresponding µ-SeO (dimetallic selenoxide) species.

  R = H或Me的配合物[Pd 2 Cl 2 µ-PPh 2 CH（R）PPh 2 } 2 ]与H 2 SE或元素SE反应生成桥联硒化物衍生物[Pd 2 Cl 2（ μ-SE）μ-PPH 2 CH（R）PPH 2 } 2 ]; 这些，与卜治疗吨OOH，得到相应的μ-的SEO（二元金属硒亚砜）物种。
• Crystallographic characterization of the palladium(I) dimers, syn-Pd2Cl2(dppmMe)2 and Pd2Cl2(dppm)2; solution conformational behavior of syn- and anti-Pd2Cl2(dppmMe)2 and their (μ-Se) adducts [dppmMe=μ-1,1-bis(diphenylphosphino)ethane, and dppm=μ-bis(diphenylphosphino)methane]
  作者：Gábor Besenyei、László Párkányi、Eszter Gács-Baitz、Brian R. James

  DOI：10.1016/s0020-1693(01)00682-x

  日期：2002.1

  eight-membered Pd 2 P 4 C 2 ring. This conformation, containing equatorial Me groups, facilitates access of the Pd-Pd bond to small molecules such as CO, SO 2 , and elemental sulfur or selenium, and makes the syn isomer more reactive than anti-1. A comparison of bond angles around the Pd and P atoms in the syn- and anti-isomers reveals a more strained geometry of the former, which may also contribute to the

  对syn-Pd 2 Cl 2（dppmMe）2 syn-1的X射线衍射研究显示，八元Pd 2 P 4 C 2环具有不寻常的船形构象。包含赤道Me基的该构象有助于Pd-Pd键接近小分子（例如CO，SO 2和元素硫或硒）的进入，并使同分异构体比抗-1更活泼。通过比较同构异构体和反异构体中Pd和P原子周围的键角，可以发现前者的几何形状更易变形，这也可能有助于syn-1形成A框架加合物的倾向性增强。溶液NMR / NOE研究了syn-1和anti-1及其（μ-Se）加合物的结构刚性。Me基团抑制次甲基C原子上轴向和赤道位置的互换，溶液结构与固态结构相对应。正如预期的那样，Pd 2 Cl 2（dppm）2的X射线结构类似于相应的溴配合物。两者均类似于anti-1，后者在两个稠密的五元环中均采用椅子构型。
• Lee, Chung-Li; Yang, Ye-Ping; Rettig, Steven J., Organometallics, 1986, vol. 5, # 11, p. 2220 - 2228
  作者：Lee, Chung-Li、Yang, Ye-Ping、Rettig, Steven J.、James, Brian R.、Nelson, David A.、Lilga, Michael A.

  DOI：——

  日期：——
• Synthesis and Characterization of Dinuclear Palladium Complexes with Bridging Selenide or Selenoxide Ligands, Including X-ray Characterization of anti-Pd2Cl2(.mu.-Se)(.mu.-dpmMe)2 [dpmMe = 1,1-Bis(diphenylphosphino)ethane]
  作者：Gabor Besenyei、Laszlo Parkanyi、Laszlo I. Simandi、Brian R. James

  DOI：10.1021/ic00128a024

  日期：1995.11

  The complexes Pd2Cl2(P-P)(2), where (P-P) = mu-bis(diphenylphosphino)methane, dpm, or mu-1,1-bis(diphenylphosphino)ethane, dpmMe, react with elemental selenium to give the A-frame adducts Pd2Cl2(mu-Se)(P-P)(2), which can be oxidized by t-BuOOH to the mu-SeO derivatives. Reaction of H2Se with Pd2Cl2(dpm)(2) generates Pd(2)Ch(2-n)-(SeH)(n)(mu-Se)(dpm)(2) species (n = 0-2). anti-Pd2Cl2(mu-Se)(dpmMe)(2) (2d) crystallizes in the monoclinic space group P2(1)/c with a = 11.986(2) Angstrom, b = 24.141(2) Angstrom, c = 18.921(2 Angstrom), beta = 106.64(1)degrees, V = 5243.2(11)' Angstrom(3), and Z = 4; the structure was refined against F-2 to wR2 = 0.1338 (R1 = 0.0476) for 9838 reflections with I > 2 sigma(1). 2d is the first structurally characterized A-frame complex with anti disposition of substituents at the methylene C atoms of the diphosphine Ligands. A correlation between the Se-77 NMR shift measured for Pd2Cl2(mu-Se)(P-P)(2) and the equilibrium constant for the reversible binding of CO by the Pd2Cl2(P-P)(2) species reflects factors affecting binding at the apical site.