Category: 94928-86-6

In 2019,Advanced Synthesis & Catalysis included an article by Zhu, Tong-Hao; Zhang, Xiao-Chen; Cui, Xian-Lu; Zhang, Ze-Yu; Jiang, Hui; Sun, Shan-Shan; Zhao, Li-Li; Zhao, Kai; Loh, Teck-Peng. Electric Literature of C33H24IrN3. The article was titled 《Direct C(sp2)-H Arylsulfonylation of Enamides via Iridium(III)-Catalyzed Insertion of Sulfur Dioxide with Aryldiazonium Tetrafluoroborates》. The information in the text is summarized as follows:

An iridium(III)-catalyzed three-component reaction of enamides e.g., N-benzyl-N-(1-phenylvinyl)acetamide, aryldiazonium tetrafluoroborates ArN2BF4 [Ar = 4-FC6H4, naphthalen-1-yl, 2-methyloxycarbonyl-thiophen-3-yl, etc.], and 1,4-diazabicyclo[2.2.2]octane bis(sulfur dioxide) (DABSO) for the direct C(sp2)-H arylsulfonylation of enamides e.g., (E)-N-benzyl-N-(1-phenyl-2-(phenylsulfonyl)vinyl)acetamide is developed. This transformation provides a robust and straightforward approach for preparing a diverse array of β-amidovinyl sulfones in moderate to excellent yields and high stereoselectivities without Light-emitting diode (LED) radiation. This transformation also features mild conditions, broad substrate scopes, and excellent functional group tolerance. After reading the article, we found that the author used fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Electric Literature of C33H24IrN3)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine is widely used in the precursor to agrochemicals and pharmaceuticals. Also, it is used as an important reagent and organic solvent.Electric Literature of C33H24IrN3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The author of 《Synthesis of fluoroalkylated alkynes via visible-light photocatalysis》 were Iqbal, Naila; Iqbal, Naeem; Han, Sung Su; Cho, Eun Jin. And the article was published in Organic & Biomolecular Chemistry in 2019. Related Products of 94928-86-6 The author mentioned the following in the article:

Fluoroalkylated alkynes R1CCR2 [R1 = Ph, 4-FC6H4, 3-thienyl, 2-pyridyl, etc.; R2 = EtO2CCF2, CF3, n-C4F9, (EtO)2P(O)CF2, etc.], which are versatile building blocks for the synthesis of various biol. active organofluorine compounds, were synthesized from easily available alkynyl halides R1CCX (X = Br, I) and fluoroalkyl halides R2X by visible-light photocatalysis. Addition of fluoroalkyl radicals to alkynes and subsequent dehalogenation selectively yielded fluoroalkylated alkynes. In the experiment, the researchers used many compounds, for example, fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Related Products of 94928-86-6)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Related Products of 94928-86-6

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Koseki, Shiro; Yoshii, Masaki; Asada, Toshio; Fujimura, Yuichi; Matsushita, Takeshi; Yagi, Shigeyuki published their research in Journal of Physical Chemistry A in 2021. The article was titled 《Theoretical Design of Blue-Color Phosphorescent Complexes for Organic Light-Emitting Diodes: Emission Intensities and Nonradiative Transition Rate Constants in Ir(ppy)2(acac) Derivatives》.Computed Properties of C33H24IrN3 The article contains the following contents:

Theor. calculations of phosphorescent spectra and nonradiative transition (NRT) rate constants for S1 → T1, T1 → S0, and S1 → S0 were carried out to determine the best candidate for a blue-color phosphorescent complex among several derivatives of bis(2-phenylpyridine)(acetylacetonate)iridium(III). The geometries of the ground state (S0), the lowest triplet state (T1), and the lowest excited singlet state (S1) were optimized at the levels of d. functional theory, in which B3LYP functionals and SBKJC+p basis sets were used. The NRT rate constants were derived by using a generating function method within the displaced harmonic oscillator model. The results of the calculation for phosphorescence showed that the introduction of F and/or CN substituents at the 4′/6′-th and 5′-th sites in 2-phenylpyridinate (ppy) ligands, resp., causes a blue shift of the emission spectra. They also suggest that Ir(5-CN,6-F-ppy)2(acac), denoted 3(56) in the text, is a good candidate for a blue-color phosphorescent complex because a blue shift of emission spectra and a moderate intensity are obtained for phosphorescence and, furthermore, this complex is calculated to have a large rate constant for S1 → T1 and relatively smaller rate constants for T1 → S0 and S1 → S0 based on the calculations of spin-orbit coupling and nonadiabatic coupling constants The experimental process involved the reaction of fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Computed Properties of C33H24IrN3)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Computed Properties of C33H24IrN3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Vibrational Radiationless Transition from Triplet States of Chromophores at Room Temperature》 was written by Hirata, Shuzo; Bhattacharjee, Indranil. Reference of fac-Tris(2-phenylpyridine)iridiumThis research focused onvibrational radiationless transition triplet states chromophores room temperature. The article conveys some information:

The radiationless transition rate based on intramol. vibrations from the lowest excited triplet state (T1) at room temperature [knr(RT)] is crucial for triplet energy harvesting in optoelectronics and photonics applications. Although a decrease of knr(RT) of chromophores with strong intermol. interactions is often proposed, scientific evidence for this has not been reported. Here, we report a method to predict knr(RT). We optically estimated knr(RT) of various molecularly dispersed chromophores with a variety of transition characteristics from T1 to the ground state (S0) under appropriate inert liquid or solid host conditions. Spin-orbit coupling (SOC) without considering mol. vibrations was not correlated with the estimated knr(RT). However, the estimated knr(RT) was strongly correlated with a multiplication of SOC considering vibrations freely allowed at room temperature and the Franck-Condon factor. This correlation revealed that knr(RT) of many heavy-atom-free chromophores with a visible T1-S0 transition energy and local excited T1-S0 transition characteristics is intrinsically less than 100 s-1 even when vibrations freely occur. This information will assist researchers to appropriately design materials without limitations regarding intermol. interactions to control T1 lifetime at room temperature and facilitate triplet energy harvesting. In the experiment, the researchers used many compounds, for example, fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Reference of fac-Tris(2-phenylpyridine)iridium)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Additionally, pyridine-based natural products continue to be discovered and studied for their properties and to understand their biosynthesis.Reference of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2019,Journal of Chemical Physics included an article by Sanderson, Stephen; Philippa, Bronson; Vamvounis, George; Burn, Paul L.; White, Ronald D.. Application In Synthesis of fac-Tris(2-phenylpyridine)iridium. The article was titled 《Understanding charge transport in Ir(ppy)3:CBP OLED films》. The information in the text is summarized as follows:

Ir(ppy)3:CBP blends have been widely studied as the emissive layer in organic light emitting diodes (OLEDs), yet crucial questions about charge transport within the layer remain unaddressed. Recent mol. dynamics simulations show that the Ir(ppy)3 mols. are not isolated from each other, but at concentrations of as low as 5 weight % can be part of connected pathways. Such connectivity raises the question of how the iridium(III) complexes contribute to long-range charge transport in the blend. We implement a kinetic Monte Carlo transport model to probe the guest concentration dependence of charge mobility and show that distinct min. appear at approx. 10 weight % Ir(ppy)3 due to an increased number of trap states that can include interconnected complexes within the blend film. The depth of the min. is shown to be dependent on the elec. field and to vary between electrons and holes due to their different trapping depths arising from the different ionization potentials and electron affinities of the guest and host mols. Typical guest-host OLEDs use a guest concentration below 10 weight % to avoid triplet-triplet annihilation, so these results suggest that optimal device performance is achieved when there is significant charge trapping on the iridium(III) complex guest mols. and min. interactions of the emissive chromophores that can lead to triplet-triplet annihilation. (c) 2019 American Institute of Physics. In addition to this study using fac-Tris(2-phenylpyridine)iridium, there are many other studies that have used fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Application In Synthesis of fac-Tris(2-phenylpyridine)iridium) was used in this study.

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridines are often used as catalysts or reagents; particular notice has been paid recently to how pyridine coordinates to metal centers enabling a wide range of valuable reactions. Application In Synthesis of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The author of 《Switching between Copper-Catalysis and Photocatalysis for Tunable Halofluoroalkylation and Hydrofluoroalkylation of 1,6-Enynes toward 1-Indenones》 were Shen, Zheng-Jia; Wang, Shi-Chao; Hao, Wen-Juan; Yang, Shi-Zhao; Tu, Shu-Jiang; Jiang, Bo. And the article was published in Advanced Synthesis & Catalysis in 2019. Safety of fac-Tris(2-phenylpyridine)iridium The author mentioned the following in the article:

Radical cyclization/fluoroalkylation of enyne I with BrCF2CO2Et in presence of K2CO3 in MeCN at 120° under air using CuI and Me4Phen as catalyst afforded (E)-indenone II (68%) whereas the same substrates under visible light photocatalytic conditions with fac-Ir(ppy)3 in presence of Et3N in THF under N2 at room temperature afforded (Z)-III (59%). In the part of experimental materials, we found many familiar compounds, such as fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Safety of fac-Tris(2-phenylpyridine)iridium)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Safety of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2019,Journal of Chemical Physics included an article by Sanderson, Stephen; Philippa, Bronson; Vamvounis, George; Burn, Paul L.; White, Ronald D.. Application In Synthesis of fac-Tris(2-phenylpyridine)iridium. The article was titled 《Understanding charge transport in Ir(ppy)3:CBP OLED films》. The information in the text is summarized as follows:

Ir(ppy)3:CBP blends have been widely studied as the emissive layer in organic light emitting diodes (OLEDs), yet crucial questions about charge transport within the layer remain unaddressed. Recent mol. dynamics simulations show that the Ir(ppy)3 mols. are not isolated from each other, but at concentrations of as low as 5 weight % can be part of connected pathways. Such connectivity raises the question of how the iridium(III) complexes contribute to long-range charge transport in the blend. We implement a kinetic Monte Carlo transport model to probe the guest concentration dependence of charge mobility and show that distinct min. appear at approx. 10 weight % Ir(ppy)3 due to an increased number of trap states that can include interconnected complexes within the blend film. The depth of the min. is shown to be dependent on the elec. field and to vary between electrons and holes due to their different trapping depths arising from the different ionization potentials and electron affinities of the guest and host mols. Typical guest-host OLEDs use a guest concentration below 10 weight % to avoid triplet-triplet annihilation, so these results suggest that optimal device performance is achieved when there is significant charge trapping on the iridium(III) complex guest mols. and min. interactions of the emissive chromophores that can lead to triplet-triplet annihilation. (c) 2019 American Institute of Physics. In addition to this study using fac-Tris(2-phenylpyridine)iridium, there are many other studies that have used fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Application In Synthesis of fac-Tris(2-phenylpyridine)iridium) was used in this study.

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridines are often used as catalysts or reagents; particular notice has been paid recently to how pyridine coordinates to metal centers enabling a wide range of valuable reactions. Application In Synthesis of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The author of 《Switching between Copper-Catalysis and Photocatalysis for Tunable Halofluoroalkylation and Hydrofluoroalkylation of 1,6-Enynes toward 1-Indenones》 were Shen, Zheng-Jia; Wang, Shi-Chao; Hao, Wen-Juan; Yang, Shi-Zhao; Tu, Shu-Jiang; Jiang, Bo. And the article was published in Advanced Synthesis & Catalysis in 2019. Safety of fac-Tris(2-phenylpyridine)iridium The author mentioned the following in the article:

Radical cyclization/fluoroalkylation of enyne I with BrCF2CO2Et in presence of K2CO3 in MeCN at 120° under air using CuI and Me4Phen as catalyst afforded (E)-indenone II (68%) whereas the same substrates under visible light photocatalytic conditions with fac-Ir(ppy)3 in presence of Et3N in THF under N2 at room temperature afforded (Z)-III (59%). In the part of experimental materials, we found many familiar compounds, such as fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Safety of fac-Tris(2-phenylpyridine)iridium)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Safety of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Reference of fac-Tris(2-phenylpyridine)iridiumIn 2019 ,《Photoredox-catalyzed cascade annulation of N-propargylindoles with sulfonyl chlorides: access to 2-sulfonated 9H-pyrrolo[1,2-a]indoles》 appeared in Organic & Biomolecular Chemistry. The author of the article were Zhang, Pengbo; Shi, Shanshan; Gao, Xia; Han, Shuang; Lin, Jinming; Zhao, Yufen. The article conveys some information:

A photoredox-catalyzed cascade radical reaction of N-propargylindoles I (R1 = H, 6-Me, 7-Me, 5-MeO, 6-F, 6-Cl, 5-Cl; R2 = H, CN, CF3, Me, MeO, F, Cl, Br, I; R3 = H, Me) and sulfonyl chlorides ArS(O)2Cl (Ar = 4-methylphenyl, naphthalen-1-yl, thiophen-2-yl, etc.) to 2-sulfonated 9H-pyrrolo[1,2-a]indoles II (R4 = 7-MeO, 7-Cl, 9-Me, etc.) was described. By the direct use of com. available sulfonyl chlorides as radical precursors, this transformation proceeded smoothly to afford the corresponding products in moderate to good yields under external oxidant-free conditions at room temperature In the experimental materials used by the author, we found fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Reference of fac-Tris(2-phenylpyridine)iridium)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Reference of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Safety of fac-Tris(2-phenylpyridine)iridiumIn 2020 ,《Multiscale Simulation of Photoluminescence Quenching in Phosphorescent OLED Materials》 was published in Advanced Theory and Simulations. The article was written by Symalla, Franz; Heidrich, Shahriar; Friederich, Pascal; Strunk, Timo; Neumann, Tobias; Minami, Daiki; Jeong, Daun; Wenzel, Wolfgang. The article contains the following contents:

Bimol. exciton-quenching processes such as triplet-triplet annihilation (TTA) and triplet-polaron quenching play a central role in phosphorescent organic light-emitting diode (PhOLED) device performance and are, therefore, an essential component in computational models. However, the experiments necessary to determine microscopic parameters underlying such processes are complex and the interpretation of their results is not straightforward. Here, a multiscale simulation protocol to treat TTA is presented, in which microscopic parameters are computed with ab initio electronic structure methods. With this protocol, virtual photoluminescence experiments are performed on a prototypical PhOLED emission material consisting of 93 wt% of 4,4′,4″”-tris(N-carbazolyl)triphenylamine and 7 wt% of the green phosphorescent dye fac-tris(2-phenylpyridine)iridium. A phenomenol. TTA quenching rate of 8.5 × 10-12 cm3 s-1, independent of illumination intensity, is obtained. This value is comparable to exptl. results in the low-intensity limit but differs from exptl. rates at higher intensities. This discrepancy is attributed to the difficulties in accounting for fast bimol. quenching during exciton generation in the interpretation of exptl. data. This protocol may aid in the exptl. determination of TTA rates, as well as provide an order-of-magnitude estimate for device models containing materials for which no exptl. data are available. In the experimental materials used by the author, we found fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Safety of fac-Tris(2-phenylpyridine)iridium)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridines, quinolines, and isoquinolines have found a function in almost all aspects of organic chemistry. Pyridine has found use as a solvent, base, ligand, functional group, and molecular scaffold. As structural elements, these moieties are potent electron-deficient groups, metal-directing functionalities, fluorophores, and medicinally important pharmacophores. Safety of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem