Pt(PPh₃)₂(1-ethynyl-4-trifluoromethylbenzene(1-))₂ | 1420879-14-6

• 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: Pt(PPh₃)₂(1-ethynyl-4-trifluoromethylbenzene(1-))₂
• 英文别名: Pt(PPh₃)₂(C≡CC6H4CF3-4)₂
• CAS: 1420879-14-6
• 化学式: C₅₄H₃₈F₆P₂Pt
• 分子量: 1057.91
• InChiKey: DCQQYJAVKOFHLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Pt(PPh₃)₂(1-ethynyl-4-trifluoromethylbenzene(1-))₂ 以 丙酮 为溶剂， 生成 (tetrabuthylammonium)₂[trans-Pt(CCC₆H₄CF₃-4)₂(CN)₂]
  参考文献：
  名称：

  New Trans-Configured Acetylide–Cyanide Platinum(II) Anions: Spectroscopic and Optical Studies

  摘要：

  A novel series of phosphorescent stable mixed acetylide-cyanide anionic (NBu4)(2)[trans-Pt(C CR)(2)(CN)(2)] (R = Tol (1), C6H4CF3-4 (2), C5H4N-4 (3), Np (4)) complexes were prepared by reactions of the neutral [trans-Pt(C CR)(2)(PPh3)(2)] precursors with excess (NBu4)CN. The formation of 1-4 takes place through monoanionic [trans-Pt(C CR)(2)(CN)(PPh3)](-) intermediate species, as confirmed by the isolation of the naphthyl derivative (NBu4)[trans-Pt(C CNp)(2)(CN)(PPh3)] (5). Further substitution of PPh3 in 5 by (CNBu)-Bu-t gives (NBu4)[trans-Pt(C CNp)(2)(CN)-((CNBu)-Bu-t)], containing three different isoelectronic ligands. The complexes have been characterized (H-1, C-13, Pt-195 NMR, IR, MALDI-TOF), including X-ray crystallography for 2, 4, and 6, and their spectroscopic and optical properties compared to those of the related homoleptic [Pt(C CR)(4)](2-) complexes. Time-dependent density functional theory (TD-DFT) calculations were performed for anions 1(2-) and 4(2-) and three different conformers of 6(-) to provide further insight into the nature of the electronic transitions.

  DOI：

  10.1021/om301134k
• 作为产物：
  描述：

  4-乙炔基-α,α,α-三氟甲苯 、 cis-dichlorobis(triphenylphosphine)platinum(II) 在 copper(l) iodide 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 5.0h， 生成 Pt(PPh₃)₂(1-ethynyl-4-trifluoromethylbenzene(1-))₂
  参考文献：
  名称：

  Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg₂Heterotrinuclear Alkynyl Complexes

  摘要：

  A series of highly phosphorescent PtAg2 heterotrinuclear alkynyl complexes with bis(diphenylphosphinomethyl)-phenylphosphine (dpmp) were prepared and characterized structurally. The solution phosphorescence with various emitting colors is systematically modulated by modifying substituents as well as pi-conjugated systems in aromatic acetylides. The crystals, powders, or films exhibit reversible stimuli-responsive phosphorescence changes upon exposure to vapor of MeCN, pyridine, DMF, etc., resulting from perturbation of d(8)-d(10) metallophilic interaction in the excited states as a consequence of the formation/disruption of Ag-solvent bonds. Both experimental and time-dependent density functional theory (TD-DFT) studies demonstrate that d(8)-d(10) metallophilic interaction exerts a crucial role on phosphorescent characteristics due to the PtAg2 cluster-based (3)[d -> p] state. This study affords a paradigm for phosphorescence modulation in d(8)-d(10) heteronuclear complexes.

  DOI：

  10.1021/ic4000457

文献信息

• 一种磷光PtAg2配合物及其制备方法和用途
  申请人：中国科学院福建物质结构研究所

  公开号：CN106632514B

  公开（公告）日：2019-10-29

  本发明涉及一种具有消旋结构的离子型磷光金属配合物及其制备方法和用途，所述配合物的结构为：[PtAg 2 rac‑(PPh 2 CH 2 PPhCH 2 ‑) 2 }(C≡CR) 2 (PR' 3 ) 2 ] 2+ A n‑ 2/n 或[PtAg 2 meso‑(PPh 2 CH 2 PPhCH 2 ‑) 2 }(C≡CR) 2 (PR' 3 )(μ‑X)] + m A m‑ ，其中，R可相同或不同，独立地选自：烷基、芳基、杂芳基、杂芳基芳基，R'可相同或不同，独立地选自：烷基、芳基、杂芳基；所述的烷基、芳基、杂芳基均可被一个或多个取代基取代，所述取代基选自烷基、烯基、炔基、烷氧基、氨基、卤素、卤烷基、芳基；X选自卤素；A m‑ 、A n‑ 为一价或二价阴离子，m或n为1、2。本发明还涉及一种有机发光二极管及其制备方法和用途，以本发明所述的磷光金属配合物为发光层掺杂体，制备得到的有机发光二极管，具有高性能的有机电致发光，可应用于平板显示。
• PHOTOCHROMIC Pt(II)-M(I) HETEROTRINUCLEAR COMPLEXES, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER, CHINESE ACADEMY OF SCIENCES

  公开号：US20200283679A1

  公开（公告）日：2020-09-10

  Pt 2 M heterotrinuclear metal-organic alkynyl complexes have a structure of formula (I): [Pt 2 M(μ-PR 2 CH 2 PRCH 2 PR 2 ) 2 (C≡CR′) 2 (C≡CR″) 2 ] + m A m− . In formula (I), μ represents a bridging ligand; PR 2 CH 2 PRCH 2 PR 2 is a type of tridentate phosphine ligands; the subscript number of each letter represents the number of each group. The complexes present phosphorescent emission, and the color distribution of the emitted light is relatively broad from blue-green to orange-red. The complexes can be used as photoluminescent materials in the fields of displays, lighting, sensors and biomarkers. Among the complexes, Cu complexes also exhibit reversible self-recovery photochromic performance. Under UV irradiation, the complexes change from a colorless or light color state to a dark color state rapidly, and after stopping UV irradiation, they gradually return to the light color state.

  Pt2M杂三核金属有机炔基配合物的结构式为(I): [Pt2M(μ-PR2CH2PRCH2PR2)2(C≡CR′)2(C≡CR″)2]+mAm−。在式(I)中，μ代表桥接配体；PR2CH2PRCH2PR2是一种三齿磷配体；每个字母的下标数字代表每个基团的数量。这些配合物呈现出磷光发射，发射光的颜色分布相对较宽，从蓝绿色到橙红色。这些配合物可以用作显示器、照明、传感器和生物标记物的光致发光材料。在这些配合物中，Cu配合物还表现出可逆的自恢复光致变色性能。在紫外辐射下，这些配合物会迅速从无色或浅色状态变为深色状态，停止紫外辐射后，它们逐渐恢复到浅色状态。
• Photophysical and Electroluminescent Properties of PtAg₂ Acetylide Complexes Supported with <i>meso</i>- and <i>rac</i>-Tetraphosphine
  作者：Hui-Xing Shu、Jin-Yun Wang、Qian-Chong Zhang、Zhong-Ning Chen

  DOI：10.1021/acs.inorgchem.7b00452

  日期：2017.8.21

  1,2-Bis[adiphenylphosphino)methyn(phenyl)phosphinolethane (dpmppe) was prepared as, a new tetraphosphine, and the corresponding rac and meso stereoisorners were successfully separated in view of their solubility difference in acetone. The substitution of PPh3 into Pt(PPh3)(2)(C CR)(2) (R = aryl) with rac- or meso-dpmppe gives Pt(rac-rdprnppe)(C CR)(2) or Pt(meso-dpmppe)-(C CR), respectively. Using Pt(rac-dpnippe):(C CR)(2) or Pt(mesodpmppe)(C CR)), as a precursor, PtAg2 heterotrinudear duster complexes were synthesized and characterized by X-ray crystallography. Depending on the conformations.- of tetraphosphine, the structures of PtAg2 complexes supported with rac- and meso-dpmppe are quite different. The higher molecular rigidity of rac-dpmppe-supported PtAg2 complexes results in stronger phosphorescent emission than that of PtAg2 species, with meso-dpmppe. The high phosphorescent quantum yields (as high as 90.5%) in doping films warrant these PtAg2 complexes as excellent phosphorescent dopants in organic light-emitting diodes (OLEDs). The peak current and external quantum efficiencies, in solution-processed OLEDs are 61.0 cd A(-1) and 18.1%, respectively. Electroluminescence was elaborately modulated by modifying the substituient in aroinatic acetylide and the conformations in tetraphosphine so as to achieve cyan, green, green-yellow, yellow, and orange-red emission.