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Phosphane tuning in heteroleptic [Cu(N^N)(P^P)]+ complexes for light-emitting electrochemical cells

The synthesis and characterization of five [Cu(P^P)(N^N)][PF6] complexes in which P^P = 2,7-bis(tert-butyl)-4,5-bis(diphenylphosphino)-9,9-dimethylxanthene (tBu2xantphos) or the chiral 4,5-bis(mesitylphenylphosphino)-9,9-dimethylxanthene (xantphosMes2) and N^N = 2,2?-bipyridine (bpy), 6-methyl-2,2?-bipyridine (6-Mebpy) or 6,6?-dimethyl-2,2?-bipyridine (6,6?-Me2bpy) are reported. Single crystal structures of four of the compounds confirm that the copper(i) centre is in a distorted tetrahedral environment. In [Cu(xantphosMes2)(6-Mebpy)][PF6], the 6-Mebpy unit is disordered over two equally populated orientations and this disorder parallels a combination of two dynamic processes which we propose for [Cu(xantphosMes2)(N^N)]+ cations in solution. Density functional theory (DFT) calculations reveal that the energy difference between the two conformers observed in the solid-state structure of [Cu(xantphosMes2)(6-Mebpy)][PF6] differ in energy by only 0.28 kcal mol?1. Upon excitation into the MLCT region (lambdaexc = 365 nm), the [Cu(P^P)(N^N)][PF6] compounds are yellow to orange emitters. Increasing the number of Me groups in the bpy unit shifts the emission to higher energies, and moves the Cu+/Cu2+ oxidation to higher potentials. Photoluminescence quantum yields (PLQYs) of the compounds are low in solution, but in the solid state PLQYs of up to 59% (for [Cu(tBu2xantphos)(6,6?-Me2bpy)]+) are observed. Increased excited-state lifetimes at low temperature are consistent with the complexes exhibiting thermally activated delayed fluorescence (TADF). This is supported by the small energy difference calculated between the lowest-energy singlet and triplet excited states (0.17-0.25 eV). The compounds were tested in simple bilayer light-emitting electrochemical cells (LECs). The optoelectronic performances of complexes containing xantphosMes2 were generally lower with respect to those with tBu2xantphos, which led to bright and efficient devices. The best performing LECs were obtained for the complex [Cu(tBu2xantphos)(6,6?-Me2bpy)][PF6] due to the increased steric hindrance at the N^N ligand, resulting in higher PLQY.

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Metal catalyst and ligand design,
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Related Products of 4411-80-7, A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 4411-80-7, Name is 6,6′-Dimethyl-2,2′-bipyridine, molecular formula is C12H12N2. In a Patent£¬once mentioned of 4411-80-7

A bipyridyl derivative and synthesizing method, use (by machine translation)

The invention provides a bipyridyl compound, the bipyridyl compound cryptates product is a kind of the light-emitting and lighting, fluorescent probe and the like field of application showing a potential prospects for fluorescent material, can completely change the current dissociation – enhanced time-resolved fluorescence immunoassay method (DELFLA) shortcomings, realizing high sensitivity, large flux, full-automatic time-resolved Immunofluorescence detection. (by machine translation)

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Metal catalyst and ligand design,
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One of the oldest and most widely used commercial enzyme inhibitors is aspirin, Application In Synthesis of 6,6′-Dimethyl-2,2′-bipyridine, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 4411-80-7

Catalysts function by providing an alternate reaction mechanism that has a lower activation energy than would be found in the absence of the catalyst. In some cases, the catalyzed mechanism may include additional steps.In a article, 4411-80-7, molcular formula is C12H12N2, introducing its new discovery. Application In Synthesis of 6,6′-Dimethyl-2,2′-bipyridine

Synthesis and characterization of some new bipyridyl-based multidentate ligands and their CuI complexes

Four new 2,2?-bipyridyl-based ligands: 6,6?-bis(methylthiomorpholine)-2,2?-bipyridine (L1), 4,4?-dimethyl-6,6?-bis(methylthiomorpholine)-2,2?-bipyridine (L2), 6,6?-bis(methylpiperidine) -2,2?-bipyridine (L3) and 4,4?-dimethyl-6,6?-bis(methylpiperidine)-2,2?-bipyridine (L4), and dimeric CuI complexes of the ligands L1 and L2 have been synthetized. The X-ray crystal structures of the ligands L1 and L2 and the L1-CuI complex have been determined. Complexation of these ligands with other metals produced mainly compounds having very low solubilities. Acta Chemica Scandinavica 1997.

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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Mapping palladium reduction by carbon monoxide in a catalytically relevant system. a novel palladium(I) dimer

Reaction of neutral palladium(II) complexes with chelating nitrogen ligands of the phenanthroline family had been earlier found to proceed through the formation of a CO adduct, which is then reduced to another observable complex before decomposing to metallic palladium. We have now extended this study and completely characterized by single-crystal X-ray diffraction one member of this class of compounds. The intermediate is an unprecedented type of palladium(I) dimer with two bridging COs. The same complex could also be obtained by a conproportionation reaction of a Pd0 with a PdII complex. The picture of the reactivity of neutral palladium(II) complexes with phenanthroline ligands in a CO atmosphere was completed by the identification of two byproducts of the main reaction.

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Microwave-assisted one-pot synthesis of new ionic iridium complexes of [Ir(bzq)2(N^N)]+A- type and their selected electroluminescent properties

Iridium C,N-cyclometalated complexes with an ionic structure are considered to be promising candidates for application in host/guest solid-state phosphorescent single-layer devices because the employment of such dopants offers the possibility of reducing their concentration in organic matrices as well as allows obtaining organic light emitting devices (OLEDs) with interesting emission parameters. We report herein a methodology enabling the synthesis of cyclometalated ionic iridium(iii) complexes of the type [Ir(C^N)2(N^N)]+A- according to a three-component one-pot strategy involving the acceleration of the reaction via microwave irradiation. The developed protocol allowed efficient synthesis of a series of new cationic iridium(iii) coordination derivatives, which were isolated and spectroscopically characterized, while the structures of two of them were determined by the X-ray method. Moreover, the iridium(iii) derivatives were subjected to the cyclic voltammetry studies in order to determine the energies of the HOMO and LUMO levels as well as to estimate their electrochemical properties and to predict some electronic properties. Additionally, the ONIOM calculation scheme that was used to predict HOMO-LUMO gaps for the studied Ir(iii) complexes showed a good correlation between the experimental and calculated values. In order to determine the influence of the structure and nature of the ancillary ligand on the location of the maximum emission band, the photophysical properties of the synthesized iridium complexes were characterized. Finally, the selected compounds were used as emitters for the construction of polymer light emitting diodes (PLEDs) based on a poly(N-vinylcarbazole)/2-(4-tert-butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole (PVK/PBD) matrix. The highest luminance, above 10-000 cd m-2, was recorded for the device containing only 1.0 wt% of [Ir(bzq)2(1,10-phenanthroline)]+PF6- in the PVK/PBD. The fabricated PLEDs exhibit current efficiency in the range of 1.0 to 2.2 cd A-1.

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4411-80-7, One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time.In a article, authors is Maheswari, Palanisamy Uma, mentioned the application of 4411-80-7, Name is 6,6′-Dimethyl-2,2′-bipyridine, molecular formula is C12H12N2

Structure and DNA cleavage properties of two copper(ii) complexes of the pyridine-pyrazole-containing ligands mbpzbpy and Hmpzbpya

The DNA-cleavage properties of the two copper(ii) complexes, [Cu(mbpzbpy)Br2](H2O)2.5 (1) and [Cu(mpzbpya)Cl](CH3OH) (2), obtained from the ligands 6,6?-bis(3,5-dimethyl-N-pyrazolmethyl)-2,2?-bipyridine) (mbpzbpy) and 6?-(3,5-dimethyl-N-pyrazolmethyl)-2,2?-bipyridine-6-carboxylic acid) (Hmpzbpya), respectively, are reported. Upon coordination to Cu II chloride in methanol, one arm of the ligand mbpzbpy is hydrolyzed to form mpzbpya. Under the same experimental conditions, the reaction of mbpzbpy with CuBr2 does not lead to ligand hydrolysis. The ligand mpzbpya is coordinated to a copper(ii) ion generating a CuN3OCl chromophore, resulting in a distorted square-pyramidal environment, whereas with the N 4 mbpzbpy ligand, the CuII ion is four-coordinated in a distorted square planar geometry. Both complexes promote the oxidative DNA cleavage of X174 phage DNA in the absence of reductant. The oxidative nature of the DNA cleavage reaction has been confirmed by religation and cell-transformation experiments. Studies using standard radical scavengers suggest the involvement of hydroxyl radicals in the oxidative cleavage of DNA. Although both compounds do convert form I (supercoiled) DNA to form II (nicked, relaxed form), only complex 1 is able to produce small amounts of form III (linearized DNA). This observation may be explained either by the attack of the copper(ii) complexes to only one single strand of DNA, or by a single cleavage event. Statistical analysis of relative DNA quantities present after the treatment with both copper(ii) complexes supports a random mode of DNA cleavage. This journal is The Royal Society of Chemistry.

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Novel diamides of 2,2?-dipyridyl-6,6?-dicarboxylic acid: Synthesis, coordination properties, and possibilities of use in electrochemical sensors and liquid extraction

The procedure was proposed for the synthesis of various dipyridyldiamides. Their various properties in the series of rare-earth elements were studied. The possibility to use the synthe-sized compounds in polymer membranes of electrochemical sensors for the development of novel types of sensors was shown. A comparison of the influence of the ligand structure on the extraction and sensor characteristics was performed.

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General procedure: To a solution of [{M(mu-Cl)(ptpy)2}2] (M=Rh, Ir) (0.15mmol) in 25mL of a mixture of CH2Cl2/MeOH/H2O (1:1:0.5) the bipyridine ligand (0.3mmol) was added and the mixture refluxed with stirring for 3h. After cooling to room temperature KPF6 (0.5mmol) was added and stirred for 20min. The solvent was removed to dryness in vacuo and the residue dissolved in dichloromethane and chromatographed on alumina with CH2Cl2/acetone (9:1) as the eluent. The resulting solution was evaporated to dryness and the residue was redissolved in 5ml of dichloromethane and the product was precipitated by slow diffusion of isohexane.

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Reference£º
Article; Graf, Marion; Gothe, Yvonne; Siegmund, Daniel; Metzler-Nolte, Nils; Suenkel, Karlheinz; Inorganica Chimica Acta; vol. 471; (2018); p. 265 – 271;,
Metal catalyst and ligand design
Ligand Template Strategies for Catalyst Encapsulation – NCBI