trans-[Pd(κ2-2-C6F4PPh2)2] | 1064709-93-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-[Pd(κ2-2-C6F4PPh2)2]
• 英文别名: diphenyl-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)phosphane;palladium(2+)
• CAS: 1064709-93-8
• 化学式: C₃₆H₂₀F₈P₂Pd
• 分子量: 772.91
• InChiKey: LSCLCQXEYYEGGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  47
• 可旋转键数：
  4
• 环数：
  6.0
• 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：
  10

反应信息

• 作为反应物：
  描述：

  trans-[Pd(κ2-2-C6F4PPh2)2] 以 二氯甲烷 、 甲苯 为溶剂， 反应 1.0h， 生成 [(Me₃P)₂Pd(μ-2-C₆F₄PPh₂)₂Ag]PF₆
  参考文献：
  名称：

  Metallophilic Contacts in 2-C₆F₄PPh₂ Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study

  摘要：

  Treatment of the bis(chelate) complex trans-[Pd(kappa(2)-2-C6F4PPh2)(2)] (7) with PMe3 gave trans-[Pd(kappa C-2-C6F4PPh2)(2)(PMe3)(2)] (13) as a mixture of syn- and anti-isomers. Reaction of 13 with CuCl, AgCl, or [AuCl(tht)] (tht = tetrahydrothiophene) gave the heterobinuclear complexes [(Me3P)(2)Pd(mu-2-C6F4PPh2)(2)MCl] [M = Cu (14), Ag (15), Au (16)] from which the corresponding salts [(Me3P)(2)Pd(mu-2-C6F4PPh2)(2)M]PF6 [M = Cu (17), Ag (18), Au (19)] could be prepared by abstraction of the chloro ligand with TlPF6; 18, as well as its triflato (20) and trifluoroacetato (21) analogues, were also prepared directly from 13 and the appropriate silver salt. Reaction of 13 with [AuCl(PMe3)] gave the zwitterionic complex [(Me3P)PdCl(mu-2-C6F4PPh2)(2)Au] (24) in which the 2-C6F4PPh2 ligands are in a head-to-head arrangement. In contrast, the analogous reaction with [AuCl(PPh3)] gave [(Ph3P)PdCl(mu-2-C6F4PPh2)(2)Au] (25) with a head-to-tail ligand arrangement. Single crystal X-ray diffraction studies of complexes 14-21 show short metal metal separations [2.7707(11)-2.9423(3) angstrom] suggestive of attractive noncovalent (dispersion) interactions, a conclusion that is supported by theoretical calculations of the electron localization function and the noncovalent interactions descriptor.

  DOI：

  10.1021/acs.inorgchem.5b00939
• 作为产物：
  描述：

  (1,5-环辛二烯)溴化钯 、 (2-bromo-3,4,5,6-tetrafluorophenyl)diphenylphosphine 在 n-BuLi 作用下， 以 乙醚 为溶剂， 以39%的产率得到trans-[Pd(κ2-2-C6F4PPh2)2]
  参考文献：
  名称：

  含四元环的双（正金属化）d 8-三元组的三元组

  摘要：

  反应2-LIC的6 ˚F 4 PPH 2与[的MC1 2（组2）2 ]在二乙醚中给出的单体双（螯合）络合物的反式- [M（κ 2 -2-C 6 ˚F 4 PPH 2）2 ] [M ＝ Pt（1），Pd（2）]，或者在铂的情况下，是顺式和反式异构体的混合物。用锌粉处理THF中的NiCl 2和2-BrC 6 F 4 PPh 2的混合物，得到反式- [镍（κ 2 -2-C 6 ˚F 4 PPH 2）2 ]（3）。在四元螯合环1 - 3是在添加的二齿配位体打开1,2-双（二苯基膦基）乙烷（dppe），并且，在的情况下3，2,2'-联吡啶（联吡啶）和1 1,10-菲咯啉（phen）的，得到的类型的复合物的顺式- [M（κ ç -C 6 ˚F 4 -2-PPH 2）2（LL）] [LL = DPPE，M =镍（6），钯（7），Pt（8）；M = Ni，LL = bipy（9），phen（10）]，其中PPh

  DOI：

  10.1021/om8004806

文献信息

• Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C₆F₄PPh₂: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species
  作者：Suresh K. Bhargava、Steven H. Privér、Anthony C. Willis、Martin A. Bennett

  DOI：10.1021/om300525p

  日期：2012.8.13

  weaker metal–metal interaction in the dimetal(II) complexes. Unexpectedly, reaction of 5 with iodobenzene gives a mononuclear palladium(II) complex, cis-[Pd(κ2C,P-2-C6F4PPh2)(κC-2-C6F4PPh2)(PPh3)] (15). This is suggested to be formed by a sequence of (a) oxidative addition of iodobenzene to 5 to give a σ-phenyl complex analogous to the σ-methyl complex 14, (b) a change in the binding mode of one of

  的歧化反式- [钯（κ 2 -2-C 6 ˚F 4 PPH 2）2 ]与[PDL 4 ]（L = PPH 3，ASPH 3）给出的金属-金属键合二钯（I）配合物[钯2我（μ-2- C6 F 4 PPh 2）2（L）2 ] [L ＝ PPh 3（5），ASPh 3（6）]，其中，桥连配体采用头尾相接的方式。相应的二铂（I）络合物[PT 2 I（μ-2-C6 ˚F 4 PPH 2）2（PPH 3）2 ]（9）类似地从[PT获得（κ 2 -2-C 6 ˚F 4 PPH 2）2 ]和[铂（PPH 3）3 ]。二钯（I）配合物[2.5740（3）Å（5），2.5511（3）Å（6）]中金属原子之间的间隔略小于二铂（I）配合物9 [2.61179（15）]一种]。6的轴向三苯ar基配体被叔取代丁基异氰酸酯，得到二钯（I）络合物[Pd 2 I（μ-2- C6 F 4 PPh 2）2（CN t Bu）2 ]（7）。然而，治疗的反式-
• Cyclopalladated complexes containing 2-C₆R₄PPh₂ ligands (R = H, F): one-electron electrochemical reduction leading to metal–carbon σ-bond cleavage via palladium(<scp>i</scp>)
  作者：Gopa Kar、Steven H. Privér、Lathe A. Jones、Si-Xuan Guo、Angel A. J. Torriero、Alan M. Bond、Martin A. Bennett、Suresh K. Bhargava

  DOI：10.1039/c4dt03268c

  日期：——

  complexes 11–13, together with those of other cyclopalladated complexes containing 2-C6R4PPh2 ligands (R = H, F) were studied by cyclic, rotating disk and microelectrode voltammetry. Evidence for the one-electron reduction of [PdI(κ2-2-C6F4PPh2)(PPh2Fc)] (6) was obtained from coulometric analysis, although the product is unstable and undergoes further chemical processes. Preparative electro-reduction of

  三个新的邻-metallated钯络合物，[钯（ø，ö '-hfacac）（κ 2 -2-C 6 ˚F 4 PPH 2）]（11），[钯2（ø，ö '-hfacac）2（μ -2-C 6 ˚F 4 PPH 2）2 ]（12）和[钯（ø，ö '-hfacac）（κ ç -2-C 6 ˚F 4 PPH 2）（PPH 3）]（13）（hfacac =六氟乙酰丙酮），已经制备并充分表征。通过循环，转盘和微电极伏安法研究了配合物11–13以及其他含有2-C 6 R 4 PPh 2配体（R = H，F）的环钯配合物的电化学还原反应。证据的单电子还原[PDI（κ 2 -2-C 6 ˚F 4 PPH 2）（PPH 2的Fc）]（6）从库仑分析获得，尽管该产品是不稳定的，并且进行进一步的化学过程。[Pd 2（μ-Br）2的制备性电还原（κ 2 -2-C 6 ˚F 4 PPH 2）2 ]（7）在CH 2氯2引
• Tin(IV) Compounds with 2-C₆F₄PPh₂ Substituents and Their Reactivity toward Palladium(0): Formation of Tin–Palladium Complexes via Oxidative Addition
  作者：Erik Wächtler、Sven Wahlicht、Steven H. Privér、Martin A. Bennett、Birgit Gerke、Rainer Pöttgen、Erica Brendler、Robert Gericke、Jörg Wagler、Suresh K. Bhargava

  DOI：10.1021/acs.inorgchem.7b00410

  日期：2017.5

  with palladium(0) sources [Pd(PPh3)4] and [Pd(allyl)Cp]} by the oxidative addition of one of their Sn–CAryl bonds to palladium(0) with formation of the heterobimetallic complexes [MeSn(μ-2-C6F4PPh2)2Pd(κC-2-C6F4PPh2)] (5) and [Me2Sn(μ-2-C6F4PPh2)Pd(κ2-2-C6F4PPh2)] (6) featuring Sn–Pd bonds. The reaction of 3 with palladium(0) proceeds via the oxidative addition of the Sn–Cl bond to palladium(0), thus

  锡（IV）化合物Me x Sn（2-C 6 F 4 PPh 2）4– x（1，x = 1; 2，x = 2）和ClSn（2-C 6 F 4 PPh 2）3（3）分别由2-LiC 6 F 4 PPh 2与MeSnCl 3（3：1），Me 2 SnCl 2（2：1）或SnCl 4（3：1）的反应获得。2-LiC 6 F 4 PPh的反应2与不同化学计量比（4：1-1-1）的SnCl 4给出3作为主要产物。化合物Cl 2 Sn（2-C 6 F 4 PPh 2）2（4）在3和[AuCl（tht）]的金属转移反应中形成，但无法分离。1和2与钯（0）源[Pd（PPh 3）4 ]和[Pd（烯丙基）Cp]}反应，通过将它们的一个Sn-C芳基键氧化成钯（0）而形成杂双金属配合物[MeSn（μ-2- C6 F 4PPH 2）2的Pd（κC -2-C 6 ˚F 4 PPH 2）]（5）和[我2的Sn（μ-2-C