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Phosphorescent copper(i) complexes carrying 2,2?-bipyridyl derivatives and phosphine ligands have been prepared and fully characterised. The role of the bipyridyl as well as the phosphine ligands in defining the optical, as well as the chemical properties of the complexes, are discussed. The light emission of these complexes is investigated as a function of the molecular geometry: rigid complexes with restricted freedom to rearrange in the excited state are found to show a quantum yield of phosphorescence one order of magnitude higher than those complexes with no steric constraint. The complexes have been extruded in a polymer matrix as a proof of principle of their processability.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law.Computed Properties of C36H28OP2. In my other articles, you can also check out more blogs about 166330-10-5

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. 166330-10-5, Name is (Oxybis(2,1-phenylene))bis(diphenylphosphine), molecular formula is C36H28OP2. In a Article,once mentioned of 166330-10-5, Computed Properties of C36H28OP2

We have investigated the electronic and geometric structures in the lowest excited states of six phosphorescent heteroleptic [CuI(NN)(DPEphos)]+(DPEphos = bis[(2-diphenylphosphino)phenyl]ether) complexes with varying NN = diimine ligand structures using density functional theory. In comparison to the ground state, the results show a decrease of the dihedral angle between the N?Cu?N and P?Cu?P planes for these excited states with mixed ligand-to-ligand (DPEphos lone pair ? pi?(NN)) and metal-to-ligand charge transfer (dpi(Cu) ? pi?(NN)) character. Sterically less demanding ligands facilitate this process, which is accompanied by a geometric relaxation of the DPEphos ligand and contraction of the Cu?N bonds. The density functional for the excited state calculations has been selected based on ground state validation studies. We evaluated the ability of seven density functionals to reproduce the molecular ground state geometries and absorption spectra obtained by single-crystal X-ray diffraction and solution-phase UV?Vis absorption spectroscopy respectively. Standard methods (PBE and B3LYP), which do not account for dispersion, systematically overestimate internuclear distances. In contrast, approaches including dispersion (B97D3, PBE0-GD3, M06L, M06, omegaB97XD) remove this systematic effect and give less expanded molecular structures. We found that only the hybrid functionals (B3LYP, PBE0-GD3, M06), incorporating a portion of exact exchange from Hartree?Fock theory, accurately predict the experimental absorption energies.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Amino- and sulfanyl-derivatives of benzoquinazolinones 16a-c, 20a-c and 21a-c were prepared under palladium-catalyzed Buchwald-Hartwig coupling reaction using bromobenzoquinazolinones 15, 19a, 19b and 1-substituted piperazines or mercaptans. The combination of Pd(OAc)2 with XantPhos proved to be the best for these conversions in the presence of KOt-Bu, in 1,4-dioxane as a solvent, at 90-100 C. The 8-bromobenzo[f]quinazolin-1(2H)-one 15 was synthesized via condensation of the ethyl or tert-butyl 2-amino-8-bromonaphthalene-1-carboxylate 6, 10 with formamide, followed by reaction with 3,4-dimethoxybenzyl bromide. However, the 6-bromobenzo[h]quinazolin-4(3H)-ones 19a, 19b were prepared from ethyl 4-bromo-1-[(tert-butoxycarbonyl)amino]naphthalene-2-carboxylate (17). Biological screening of the potential cytotoxicity of compounds 16a, 20a, 20c on HT29 and HCT116 cell lines, has shown that compound 20a has a significant anticancer activity.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Two novel donor-pi-acceptor (D-pi-A type) porphyrin dyes were successfully synthesized and use in a dye-sensitized solar cell (DSSC). The molecular structures of both porphyrins are composed of the same dialkyl-substituted diphenylamino unit acting as the donor part, and two bisalkoxyphenyl substituents at the 5,15-meso positions. The acceptor part is composed of different ethyne-linked pi-extended bridges, and a cyanoacrylic acid (Dye I) or carboxyphenyl (Dye II) moiety acting as anchoring groups. In order to investigate the effects of including the pi-extended bridge between the porphyrin and acceptor unit, two different pi-extended bridges such as 2,2?-bithiophene and 2-(phenylethynyl)-thiophene, were employed. In particular, Dye II contains two triple bonds between donor substituted porphyrin and carboxylic acid group. These modifications could potentially reduce dye aggregation on the TiO2 surface. The charge recombination resistance and diffusion length for the cells with Dye II were relatively higher for all the measured ranges of bias potentials, implying that electron recombination loss from injected electrons was highly suppressed when Dye II molecules were adsorbed on the TiO2 surface. Eventually, Dye II containing a 2,2?-bithiophene pi-spacer and anchored trough a carboxyphenyl group exhibited a superior power conversion efficiency of 6.7% under AM 1.5 illumination (100 mW.cm-2) in a photoactive area of 0.46 cm 2 than Dye I with a 2-(phenylethynyl)thiophene (PCE = 3.5%) anchored through a cyanoacrylic group.

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Reference£º
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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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. 166330-10-5, Name is (Oxybis(2,1-phenylene))bis(diphenylphosphine), molecular formula is C36H28OP2. In a Article£¬once mentioned of 166330-10-5, Application In Synthesis of (Oxybis(2,1-phenylene))bis(diphenylphosphine)

New ternary Eu(III) 5-(2-pyridyl-1-oxide)tetrazolate complexes with phosphine oxide co-ligands have been synthesized and characterized by elemental analysis, and IR and 1H NMR spectroscopic techniques. The analytical data revealed that these complexes are mononuclear, and the central Eu(III) ion is coordinated by three oxygen and three nitrogen atoms of the tetrazolate and two oxygen atoms from the phosphine oxide ligands. The ancillary ligands increased remarkably the luminescence efficiency of the Eu(III) tetrazolate.

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Reference£º
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Synthesis and Characterization of Donor-pi-Acceptor-Based Porphyrin Sensitizers: Potential Application of Dye-Sensitized Solar Cells

New porphyrin sensitizers based on donor-pi-acceptor (D-pi-A) approach have been designed, synthesized, characterized by various spectroscopic techniques and their photovoltaic properties explored. N,N?-Diphenylamine acts as donor, the porphyrin is the pi-spacer, and either carboxylic acid or cyanoacryclic acid acts as acceptor. All compounds were characterized by using 1H-NMR spectroscopy, ESI-MS, UV-visible emission spectroscopies as well as electrochemical methods. The presence of aromatic groups between porphyrin pi-plane and acceptor group push the absorption of both Soret and Q-bands of porphyrin towards the red region. The electrochemical properties suggests that LUMO of these sensitizers above the TiO2 conduction band. Finally, the device was fabricated using liquid redox electrolyte (I-/I3-) and its efficiency was compared with that of a leading sensitizer. Rooftop ready: New porphyrin sensitizers based on a donor-pi-acceptor approach have been designed, synthesized, and characterized by various spectroscopic techniques and their photovoltaic properties were explored. The electrochemical properties suggest that the LUMO of these sensitizers is above the TiO2 conduction band. The sensitizer HYD4-OC8, has shown an overall conversion efficiency of 9.25 %, whereas the standard sensitizer YD2-O-C8, has shown 9.40 %.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law.Computed Properties of C36H28OP2. In my other articles, you can also check out more blogs about 166330-10-5

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. 166330-10-5, Name is (Oxybis(2,1-phenylene))bis(diphenylphosphine), molecular formula is C36H28OP2. In a Patent,once mentioned of 166330-10-5, Computed Properties of C36H28OP2

SULFUR-FREE, ZINC-FREE CURE SYSTEM FOR HALOBUTYL AND HALOGEN CONTAINING POLYMERS

This invention discloses a sulfur free and ZnO free cross-linking composition comprising a multifunctional phosphine crosslinking agent and halobutyl polymers or halogen containing polymers.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Structural and HER studies of diphosphine-monothiolate complexes [Fe2(CO)4(mu-naphthalene-2-thiolate)2(mu-dppe)] and [Fe2(CO)4(mu-naphthalene-2-thiolate)2(mu-DPEPhos)]

Two new compounds [Fe2(CO)4(mu-naphthalene-2-thiolate)2(mu-dppe)] 1 and [Fe2(CO)4(mu-naphthalene-2-thiolate)2(mu-DPEPhos)] 2 with chelating phosphine ligands were synthesized and characterized {dppe = 1,2-Bis(diphenylphosphino)ethane and DPEPhos = (Oxydi-2, 1-phenylene)bis(diphenylphosphine)}. The bridging coordination mode of the diphosphine ligand in complex 1 was confirmed by X-ray crystallography. Complexes 1 and 2 were further evaluated as catalysts for the hydrogen evolution reaction (HER) by electrochemical investigations. Complex 1 showed better stability whereas complex 2 degraded in the presence of acids.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Outstanding luminescence from neutral copper(i) complexes with pyridyl-tetrazolate and phosphine ligands

Strongly luminescent, neutral copper(i) complexes bearing 5-(2-pyridyl)tetrazolate and various phosphine ligands were synthesized. While the cationic copper(i) precursors 1b-4b do not exceed photoluminescence quantum yields (PLQY) of 4-46%, the neutral complexes 1a-4a show PLQYs of up to 89%.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Chimera diimine ligands in emissive [Cu(PP)(NN)][PF6] Complexes

The syntheses and characterizations of the chelating ligand 6-chloro-60-methyl-2,20-bipyridine (6-Cl-60-Mebpy) and of the copper(I) compounds [Cu(POP)(6-Cl-60-Mebpy)][PF6] and [Cu(xantphos) (6-Cl-60-Mebpy)][PF6] (POP = bis(2-(diphenylphosphanyl)phenyl)ether and xantphos = 4,5-bis (diphenylphosphanyl)-9,9-dimethyl-9H-xanthene) are described. The single crystal structures of both complexes were determined; the copper(I) ion is in a distorted tetrahedral environment and in [Cu(xantphos)(6-Cl-60-Mebpy)][PF6], the disorder of the 6-Cl-60-Mebpy ligand indicates there is no preference of the ‘bowl’-like cavity of the xanthene unit to host either the methyl or chloro-substituent, consistent with comparable steric effects of the two groups. The electrochemical and photophysical properties of [Cu(POP)(6-Cl-60-Mebpy)][PF6] and [Cu(xantphos)(6-Cl-60-Mebpy)][PF6] were investigated and are compared with those of the related compounds containing 6,60-dichloro-2,20-bipyridine or 6,60-dimethyl-2,20-bipyridine ligands. Trends in properties of the [Cu(PP)(NN)]+ complexes were consistent with 6-Cl-60-Mebpy behaving as a combination of the two parent ligands.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate