2,9-bis(diphenyl-phosphino)-1,10-phenanthroline | 122768-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 2,9-bis(diphenyl-phosphino)-1,10-phenanthroline
• 英文别名: 2,9-bis(diphenylphosphino)-1,10-phenanthroline；2,9-bis(dipnenylphosphino)-1,10-phenanthroline；2,9-bis(diphenylphosphino)-1,10-phenathroline；(PPh2)2phen；1,10-Phenanthroline, 2,9-bis(diphenylphosphino)-；(9-diphenylphosphanyl-1,10-phenanthrolin-2-yl)-diphenylphosphane
• CAS: 122768-46-1
• 化学式: C₃₆H₂₆N₂P₂
• 分子量: 548.563
• InChiKey: MNRVFFRKBIRQDP-UHFFFAOYSA-N

物化性质

• 沸点：
  688.8±50.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,9-bis(diphenyl-phosphino)-1,10-phenanthroline 在 双氧水 作用下， 生成 2,9-bis(diphenylphosphinoyl)phenanthroline
  参考文献：
  名称：

  一个新的芳香族聚亚胺螯合物家族，被两个二苯基膦取代

  摘要：

  二苯基磷化锂与邻位氮二取代的聚亚胺如1,8-萘啶，4'-苯基-2,2'，6'，2''-吡啶，2,2'-联吡啶或1,10-菲咯啉的反应大量产生产生一系列新的异双功能配体。

  DOI：

  10.1016/s0040-4039(00)95229-8
• 作为产物：
  描述：

  9-氯-1-甲基-1,10-菲咯啉-2-酮 在 五氯化磷 、 三氯氧磷 作用下， 反应 5.0h， 生成 2,9-bis(diphenyl-phosphino)-1,10-phenanthroline
  参考文献：
  名称：

  一个新的芳香族聚亚胺螯合物家族，被两个二苯基膦取代

  摘要：

  二苯基磷化锂与邻位氮二取代的聚亚胺如1,8-萘啶，4'-苯基-2,2'，6'，2''-吡啶，2,2'-联吡啶或1,10-菲咯啉的反应大量产生产生一系列新的异双功能配体。

  DOI：

  10.1016/s0040-4039(00)95229-8

文献信息

• Copper(<scp>i</scp>)-assisted red-shifted phosphorescence in Au(<scp>i</scp>)⋯Cu(<scp>i</scp>) heteropolynuclear complexes
  作者：Vincent J. Catalano、José M. López-de-Luzuriaga、Miguel Monge、M. Elena Olmos、David Pascual

  DOI：10.1039/c4dt02154a

  日期：——

  Reactions between [Au(C6Cl2F3)(tht)] and P,N-donor bridging ligands of the type PPh2py and (PPh2)2phen lead to the homonuclear gold complexes [Au(C6Cl2F3)(PPh2py)] (1) and [Au2(C6Cl2F3)2(PPh2)2phen}] (2). Subsequent addition of [Cu(CH3CN)4](BF4) leads to the formation of the corresponding gold–copper heterometallic complexes [Au2Cu(C6Cl2F3)2(PPh2py)2](BF4) (3) and [Au2Cu(C6Cl2F3)2(PPh2)2phen)}(CH3CN)](BF4) (4). The four complexes have been structurally characterized and are luminescent. The gold precursors show emissions arising from metal-perturbed intraligand transitions. The heterometallic complexes show a red shift of the emissions that is proposed to arise from an admixture of IL (intraligand) and MLCT (metal-to-ligand-charge-transfer) transitions. DFT and TD-DFT calculations agree well with these results.

  [Au(C6Cl2F3)(tht)] 与 PPh2py 和 (PPh2)2phen 类型的 P,N-供体桥配体之间的反应产生同核金配合物 [Au(C6Cl2F3)(PPh2py)] (1) 和 [Au2( C6Cl2F3)2(PPh2)2phen}] (2)。随后添加 [Cu(CH3CN)4](BF4) 导致形成相应的金铜异金属配合物 [Au2Cu(C6Cl2F3)2(PPh2py)2]( ) (3) 和 [Au2Cu(C6Cl2F3)2 (PPh2)2phen)}(CH3CN)]( ) (4)。这四种配合物已被结构表征并且具有发光性。金前驱体显示出由金属扰动的配体内转变产生的发射。异金属配合物显示出发射的红移，这被认为是由 IL（配体内）和 MLCT（金属到配体电荷转移）跃迁的混合引起的。 DFT 和 TD-DFT 计算与这些结果非常吻合。
• A linearly coordinated Hg(0) trapped in a gold(i) metallocryptand cage
  作者：Vincent J. Catalano、Mark A. Malwitz、Bruce C. Noll

  DOI：10.1039/b100432h

  日期：——

  Hg(0) is effectively encapsulated through strong, closed-shell metallophilic interactions by Au(I)-based metallocryptands using the multidentate P2phen [2,9-bis(diphenylphosphino)-1,10-phenanthroline] ligand; synthesis, characterization and X-ray crystallography are presented.

  利用多齿 P2phen [2,9-双（二苯基膦）-1,10-菲罗啉] 配体，以金（I）为基础的金属隐色体通过强烈的闭壳亲金属相互作用有效地封装了汞（0）；介绍了该配体的合成、表征和 X 射线晶体学。
• Pt(0) and Pd(0) based metallocryptands: metallophilic hosts for Pb(ii) ion
  作者：Vincent J. Catalano、Byron L. Bennett、Bruce C. Noll

  DOI：10.1039/b003758n

  日期：——

  Metallocryptands based on trigonally coordinated Pt(0) or Pd(0) with P2phen [2,9-bis(diphenylphosphino)-1,10-phenanthroline] bind Pb(II) ion through very strong, closed-shell metallophilic interactions; their syntheses, characterization and X-ray crystallography are presented.

  基于三方配位铂（0）或钯（0）与 P2phen [2,9-双（二苯基膦）-1,10-菲罗啉] 的金属隐色体通过非常强的闭壳亲金属相互作用与铅（II）离子结合；介绍了它们的合成、表征和 X 射线晶体学。
• Mixed-Metal Metallocryptands. Short Metal−Metal Separations Strengthened by a Dipolar Interaction
  作者：Vincent J. Catalano、Mark A. Malwitz

  DOI：10.1021/ja048800n

  日期：2004.6.1

  The deep-red, air-stable mixed-metal metallocryptands, [AuPdTl(P2phen)3](PF6)2, 1.(PF6)2, and [AuPtTl(P2phen)3](PF6)2, 2.(PF6)2, are easily prepared in good yield (60-70%) by reacting 3 equiv of P2phen with 1 equiv of Au(THT)Cl, excess thallous acetate, and the appropriate amount of either Pd2(dba)3 for 1 or Pt(dba)2 for 2 in acetonitrile where P2phen is 2,9-bis(diphenylphosphino)-1,10-phenanthroline, THT is tetrahydrothiophene, and dba is dibenzylidineacetone. Compared to the more symmetrical bimetallic metallocryptands, these trimetallic species show shorter than expected Au(I)-Tl(I), Pt(0)-Tl(I), and Pd(0)-Tl(I) separations. The enhanced bonding interaction is attributed to the incorporation of the dissimilar capping metals introducing dipole moments that strengthen the dispersion forces responsible for maintaining the metallophilic interactions.
• Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl⁺ Ion
  作者：Vincent J. Catalano、Byron L. Bennett、Renante L. Yson、Bruce C. Noll

  DOI：10.1021/ja001672s

  日期：2000.10.1

  Pt(0)/Pd(0) metallocryptates encapsulating TI(I) have been constructed utilizing mixed phosphine-imine ligands 2,9-bis(diphenylphosphino)-1,10-phenathroline, P(2)phen, and 6,6'-bis(diphenylphosphino)-2,2'-bipyridine, P(2)bpy. The red compounds [M2Tl(P(2)phen)(NO3) (M = Pt, 1; M = Pd, 3) and [M2Tl(P(2)bpy)(3)](NO3) (M = Pt, 2; M = Pd, 4) have been isolated as air-stable crystalline solids. Complexes 1-4 exhibit single signals in their Tl-205 NMR spectra that are well deshielded compared to the TiNO3(aq) reference signal. Additionally, Pt-195 NMR spectra of complexes 1 and 2 exhibit a doublet of quartets pattern resulting from large one-bond couplings to both P-31 and Tl-205. Characterization of 1-4 by single-crystal X-ray diffraction studies confirms the metallocryptand structure consisting of three phosphine-imine ligands in a D-3-symmetric cage with the TI(I) ion in its center and the zero-valent Pt or Pd atoms on each end. Each Pd or Pt atom is coordinated to three phosphorus centers, forming approximately trigonal geometry. The Tl(I) ion is positioned away from the imine nitrogen atoms of the phosphine ligands by similar to3.5 Angstrom. Further, the outer capping metals are distorted toward the central TI(I) ion, indicating a strong interaction. The Pt-Tl and Pd-TI separations are at similar to2.8 Angstrom each, further manifesting the strength of the metallophilic attraction in these assemblies.