[Ir(2-phenylpyridine)2(Cl)triphenylphosphine] | 97894-11-6

• 英文名称: [Ir(2-phenylpyridine)2(Cl)triphenylphosphine]
• 英文别名: [Ir(ppy)2(Cl)PPh3]；[Ir(2-phenylpyridine)₂(triphenylphosphine)Cl]；[Ir(ppy)₂(PPh₃)Cl]；Ir(2-phenyl pyridine)₂(triphenylphosphane)；iridium(III)(chloride)(PPh3)(2-phenylpyridine)2；[IrCl(2-phenylpyridine)2(triphenylphosphine)]；[Ir(triphenylphosphine)(2-phenylpyridine)2Cl；[Ir(PPh3)(ppy)2Cl]
• CAS: 97894-11-6
• 化学式: C₄₀H₃₁ClIrN₂P
• 分子量: 798.346
• InChiKey: PVMULLKWECSFRX-UHFFFAOYSA-M

计算性质

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

反应信息

• 作为反应物：
  描述：

  [Ir(2-phenylpyridine)2(Cl)triphenylphosphine] 、 sodium azide 以 氯仿 为溶剂， 以65%的产率得到[Ir(triphenylphosphine)(2-phenylpyridine)2(azide)]
  参考文献：
  名称：

  一系列新型中性铱(III)与2-苯基吡啶配合物的合成、晶体结构和光物理性质

  摘要：

  摘要 一系列含有强场辅助配体 [Ir(ppy)2(PPh3)L] (ppy = 2-苯基吡啶，PPh3 = 三苯基膦，L = NCS−, 1; N 3 - , 2; NCO−, 3)，已合成并通过 1H NMR、IR、ESI 质谱和元素分析进行​​了充分表征。1 的晶体结构已通过 X 射线分析确定。1-3 的光致发光 (PL) 光谱分别在 477、489 和 485 nm 处显示发射最大值，对应于 1 的蓝色发光和 2 和 3 的蓝绿色发光。 PL 量子产率 (PLQY) 1-3 分别为 0.39、0.13 和 0.43。

  DOI：

  10.1016/j.inoche.2009.06.017
• 作为产物：
  描述：

  2-苯基吡啶 在 sodium carbonate 作用下， 以 乙二醇乙醚 、 水 为溶剂， 反应 0.75h， 生成 [Ir(2-phenylpyridine)2(Cl)triphenylphosphine]
  参考文献：
  名称：

  Microwave-assisted facile and expeditive syntheses of phosphorescent cyclometallated iridium(III) complexes

  摘要：

  The syntheses of greenish-blue light emitting [Ir(ppy)(2)(dppel)] (2), [Ir(ppy)(2)(dppp)] (3) and [Ir(ppy)(2) (dppe)] (4) [ppy, 2-phenylpyridine; dppel, 1,2-bis(diphenylphosphino)ethylene; dppp, 1,3-bis(diphenylphosphino)propane; dppe, 1,2-bis(diphenylphosphino)ethane] complexes were carried out using [(ppy)(2)Ir(mu-Cl)(2)Ir(ppy)(2)] (1) as a starting material. These complexes were characterized by elemental analyses and NMR (H-1, C-13 and P-31) spectral studies. A single-crystal X-ray diffraction study confirmed a distorted octahedral geometry for 3. Complexes 2-4 were found to exhibit blue-shifted emission as compared to [Ir(ppy)(2)(acac)] (acacH = acetylacetone) and [Ir(ppy)(2)pic] (pic = 2-picolinic acid) because of the presence of strongly pi-accepting, (Ph2PPPh2)-P-boolean AND units. The solution quantum efficiency for 2-4 was measured and 2 showed the highest quantum efficiency. Ground state geometry optimizations for 2-4 were performed using density functional theory (DFT) with the B3LYP hybrid functional and excitation energies for low lying singlet and triplet excited states were obtained via time-dependent DFT (TDDFT) calculations. Further, complexes 1-4 were synthesized by a Microwave Irradiation technique (MW) in a reasonably shorter time. This facile and expeditive synthetic route has been extended and successfully verified for other heteroleptic complexes of Ir(III) with varying different bidentate [((NN)-N-boolean AND) (5), ((OO)-O-boolean AND) (6), ((NO)-O-boolean AND) (7)] and monodentate [PPh3 (8)] ancillary ligands. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.01.045

文献信息

• On bio-MOF materials doped with phosphorescent iridium complexes for molecular oxygen determination: Synthesis, characterization and performance
  作者：Jiali Xie、Xiang Chen、Huanrong Li、Zhenbo Chen

  DOI：10.1016/j.saa.2021.120041

  日期：2021.11

  In this paper, two phosphorescent Ir(III) complexes, Ir(ppy)2(Ln), were synthesized using 2-phenyl pyridine (ppy) as the first (major) ligand and two phosphorous compounds (L1 and L2) as the auxiliary ligand. Their single crystal structure and electronic structure were discussed. Ir(ppy)2(Ln) complexes were doped into a supporting matrix of bio-MOF-1 via cationic exchange to ensure their uniform distribution

  在本文中，以 2-苯基吡啶 (ppy) 作为第一（主要）配体和两种磷化合物（L1 和 L2）作为辅助合成了两种磷光 Ir(III) 配合物 Ir(ppy) 2 (Ln)配体。讨论了它们的单晶结构和电子结构。Ir(ppy) 2 (Ln) 配合物通过阳离子交换被掺杂到 bio-MOF-1 的支持基质中，以确保它们的均匀分布。SEM、荧光显微镜图像、XRD、N 2证实了它们的成功掺杂吸附/解吸和ICP测量。详细讨论了它们的光物理参数，包括吸收光谱、激发光谱、发射光谱、发射寿命和量子产率。它们的磷光发射得到了密度泛函理论和发射寿命的证实，使其适用于氧传感。两种复合样品均观察到线性工作曲线，灵敏度高达 23.65，响应/恢复时间为 9/22 秒。湿度对传感性能的影响是有限的。发现这些参数优于基于磷光 Cu(I)、RE(III)、Ru(II) 和 Re(I) 配合物的文献参数。传感机制被揭示为 Ir(ppy)
• New Type of Photoluminescent Iridium Complex: Novel Synthetic Route for Cationic <i>trans</i> ‐Bis(2‐phenylpyridinato)iridium(III) Complex
  作者：Chong Shik Chin、Min‐Sik Eum、Song yi Kim、Choongil Kim、Sung Kwon Kang

  DOI：10.1002/ejic.200600888

  日期：2006.12

  A new type of iridium(III) complex [trans-Ir(ppy)2(PPh3)2]+ (1) has been prepared by a novel synthetic method and its structural and photoluminescent characteristics have been compared with those of the cis analogue, [cis-Ir(ppy)2(PPh3)(P(OPh)3)]+ (2) which has also been newly prepared in this study. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  采用新型合成方法制备了新型铱(III)配合物[反式-Ir(ppy)2(PPh3)2]+ (1)，并将其结构和光致发光特性与顺式类似物进行了比较， [cis-Ir(ppy)2(PPh3)(P(OPh)3)]+ (2) 这也是本研究中新制备的。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
• Syntheses and photophysical properties of cyclometallated iridium (III) acetylide complexes
  作者：Jun-Zhi Fu、Xu Zhang、Jin-Yun Wang、Li-Yi Zhang、Zhong-Ning Chen

  DOI：10.1016/j.inoche.2012.05.039

  日期：2012.8

  Abstract A series of cyclometallated iridium(III) acetylide complexes Ir(ppy)2(PPh3)(C CR) (R = C6H5 3, C6H4But-4 4, C6F5 5, C6H4COMe-4 6, SiMe3 7) were synthesized by substitution of coordination chloride in precursor Ir(ppy)2(PPh3)Cl (2, ppy = 2-phenylpyridine) with an acetylide ligand. These complexes are brightly luminescent in fluid dichloromethane at ambient temperature, originating from 3MLCT/3LLCT/3IL

  摘要 通过取代合成了一系列环金属化铱(III)乙炔配合物Ir(ppy)2(PPh3)(C CR) (R = C6H5 3, C6H4But-4 4, C6F5 5, C6H4COMe-4 6, SiMe3 7)前体 Ir(ppy)2(PPh3)Cl (2, ppy = 2-苯基吡啶) 中的配位氯化物与乙炔配体。这些复合物在室温下在流体二氯甲烷中发出明亮的发光，源自 TD-DFT 研究支持的 3MLCT/3LLCT/3IL 状态。结果表明，前驱体 2（λem = 456 和 485 nm，Φem = 1.6%）中的配位氯化物被乙炔配体取代导致发射明显红移，并显着提高了 3-7 中的发光效率（λem = 480–510 nm，Φem = 9。
• Reaction of Cyclometalated Phosphine Chloride Iridium(III) Complexes with Imidazole
  作者：S. A. Chapaikina、A. I. Solomatina、S. P. Tunik

  DOI：10.1134/s1070363220060110

  日期：2020.6

  AbstractA series of iridium complexes with various cyclometalated ligands and phosphines [Ir(N^C)2(PR3)Cl], where N^C = 2-(benzothiophen-3-yl)pyridine and 2-phenylpyridine and R = phenyl and p-methoxyphenyl, were obtained. It was shown that the complexes of this type react with imidazole under mild conditions. The phosphine and chloride ligands are consecutively substituted to give imidazole-containing derivatives

  摘要一系列具有各种环金属化配体和膦的铱配合物[Ir（N ^ C）2（PR 3）Cl]，其中N ^ C = 2-（苯并噻吩-3-基）吡啶和2-苯基吡啶，R =苯基和得到对甲氧基苯基。结果表明，这种类型的络合物在温和条件下与咪唑反应。膦和氯化物配体被连续取代以得到含咪唑的衍生物。详细研究了所有合成化合物的光物理性质。含咪唑的配合物在溶液中表现出有效的三重态发光，量子产率高达60％，对分子氧敏感。
• Cyclometallated iridium(III) complexes with dicyanamide or tricyanomethanide
  作者：Xu Zhang、Li-Yi Zhang、Lin-Xi Shi、Zhong-Ning Chen

  DOI：10.1016/j.inoche.2009.06.008

  日期：2009.8

  Abstract Reaction of cyclometallated iridium(III) complex Ir(ppy)2(PPh3)Cl (2, ppy = 2-phenylpyridine) with dicyanamide or tricyanomethanide gave neutral mononuclear complexes Ir(ppy)2(PPh3)N(CN)2 (3a) or Ir(ppy)2(PPh3)C(CN)3 (3b), and dicyanamide/tricyanomethanide-linked binuclear iridium(III) complexes [Ir(ppy)2(PPh3)}2N(CN)2]+ (4a) or [Ir(ppy)2(PPh3)}2C(CN)3]+ (4b). Substitution of coordinated chloride

  摘要 环金属化铱 (III) 配合物 Ir(ppy)2(PPh3)Cl (2, ppy = 2-苯基吡啶) 与双氰胺或三氰基甲烷反应生成中性单核配合物 Ir(ppy)2(PPh3)N(CN)2 (3a ) 或 Ir(ppy)2(PPh3)C(CN)3 (3b)，和双氰胺/三氰基甲烷连接的双核铱 (III) 配合物 [Ir(ppy)2(PPh3)}2N(CN)2]+ ( 4a) 或 [Ir(ppy)2(PPh3)}2C(CN)3]+ (4b)。用双氰胺或三氰基甲烷取代前体 2 中的配位氯化物显着改善了 3a-4b 的发光特性。与前体 2 (1.6%) 相比，在 3a-4b 中检测到发射量子产率提高了 2.2 至 9.3 倍。