Cyclometalated Ir(III) Complexes Containing Pyrazole/Pyrazine Carboxylate Ligands

2011 ◽  
Vol 64 (5) ◽  
pp. 561 ◽  
Author(s):  
Tanima Hajra ◽  
Jitendra K. Bera ◽  
Vadapalli Chandrasekhar
Keyword(s):  
Carboxylic Acid ◽  
Dicarboxylic Acid ◽  
Room Temperature ◽  
Photophysical Properties ◽  
Emission Spectra ◽  
Carboxylate Ligands ◽  
Ancillary Ligands

Two cyclometalated Ir(iii) complexes using 2-phenylpyridine (ppy-H) as the cyclometalating ligand, and pyrazole-3-carboxylic acid (prca-H) and pyrazine 3,5-dicarboxylic acid (pzdca-H2) as ancillary ligands; were synthesized from the chloro-bridged dimer precursor [{(ppy)2Ir}2(μ-Cl)2]. The title compounds [Ir(ppy)2(prca)] (1) and [{Ir(ppy)2}2(pzdca)] (2) are monomeric and dimeric neutral Ir(iii) complexes, respectively. Their electrochemical and photophysical properties were examined. They exhibit metal-based oxidations and ligand-based reductions. These complexes exhibit emission in the blue-green region with lifetimes in the micro-second range at room temperature. The nature of the emission spectra indicates differences in the origin of emission in these two compounds.

Theoretical investigation of the electronic structure and photophysical properties of a series of Ir(iii) complexes bearing pentafluorosulfanyl groups

2019 ◽  
Vol 43 (25) ◽  
pp. 9916-9923 ◽  
Author(s):  
Jing Gao ◽  
Xin Li ◽  
Deming Han ◽  
Jiawei Li ◽  
Xiaohong Shang
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Photophysical Properties ◽  
Emission Spectra ◽  
Time Dependent ◽  
Functional Theory ◽  
Ancillary Ligands ◽  
Dependent Density

The electronic structure, absorption and emission spectra, charge injection/transport ability and phosphorescence quantum efficiency of a series of cyclometalated iridium(iii) complexes with different ancillary ligands are studied using density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods.

New Z-chalcones obtained from aloe-emodin: Synthesis, characterization and photophysical properties

2019 ◽  
Vol 43 (3-4) ◽  
pp. 101-106
Author(s):  
Nieves Canudas ◽  
Manuel Moreno ◽  
Sara Pekerar ◽  
Carlos Gámez ◽  
Estefania Sucre ◽  
...  
Keyword(s):  
Potassium Hydroxide ◽  
Room Temperature ◽  
Photophysical Properties ◽  
Emission Spectra ◽  
Nmr Studies ◽  
Extinction Coefficients ◽  
Chalcone Derivatives ◽  
Aloe Emodin ◽  
Aldehyde Derivative ◽  
Molar Extinction Coefficients

Three new Z-chalcone derivatives were synthesized under stereoselective conditions by condensation between an aldehyde derivative (prepared from aloe-emodin) and an acetophenone, using potassium hydroxide in dimethyl sulfoxide/H2O at room temperature. The Z configuration of the chalcone derivatives was established by nuclear magnetic resonance (NMR) studies. Photophysical properties related to the UV-Vis absorption/emission spectra and molar extinction coefficients (ε) in different solvents were determined.

Synthesis, structural characterization and catalytic activity of chlororuthenium(II) complexes with substituted Schiff base/phosphine ancillary ligands

2020 ◽  
Vol 75 (9-10) ◽  
pp. 851-857
Author(s):  
Chong Chen ◽  
Fule Wu ◽  
Jiao Ji ◽  
Ai-Quan Jia ◽  
Qian-Feng Zhang
Keyword(s):  
Schiff Base ◽  
Catalytic Activity ◽  
Structural Characterization ◽  
Room Temperature ◽  
Molecular Structures ◽  
Cationic Complex ◽  
Neutral Complex ◽  
Ancillary Ligands ◽  
X Ray ◽  
X Ray Crystallography

AbstractTreatment of [(η6-p-cymene)RuCl2]2 with one equivalent of chlorodiphenylphosphine in tetrahydrofuran at reflux afforded a neutral complex [(η6-p-cymene)RuCl2(κ1-P-PPh2OH)] (1). Similarly, the reaction of [Ru(bpy)2Cl2·2H2O] (bpy = 2,2′-bipyridine) and chlorodiphenylphosphine in methanol gave a cationic complex [Ru(bpy)2Cl(κ1-P-PPh2OCH3)](PF6) (2), while treatment of [RuCl2(PPh3)3] with [2-(C5H4N)CH=N(CH2)2N(CH3)2] (L1) in tetrahydrofuran at room temperature afforded a ruthenium(II) complex [Ru(PPh3)Cl2(κ3-N,N,N-L1)] (3). Interaction of the chloro-bridged complex [Ru(CO)2Cl2]n with one equivalent of [Ph2P(o-C6H4)CH=N(CH2)2N(CH3)2] (L2) led to the isolation of [Ru(CO)Cl2(κ3-P,N,N-L2)] (4). The molecular structures of the ruthenium(II) complexes 1–4 have been determined by single-crystal X-ray crystallography. The properties of the ruthenium(II) complex 4 as a hydrogenation catalyst for acetophenone were also tested.

scholarly journals Regioselective Base-induced Condensations of Acrylic Acid Derivatives

1999 ◽  
Vol 23 (3) ◽  
pp. 174-175
Author(s):  
E. Abdel-Ghani
Keyword(s):  
Carboxylic Acid ◽  
Acrylic Acid ◽  
Dicarboxylic Acid ◽  
Ethyl Acetoacetate ◽  
Tobacco Necrosis Virus ◽  
Necrosis Virus ◽  
Antiviral Activities

The orientation of cyclization of the reaction of methyl aroylacrylate (1) and aroylacrylic acid (8) with ethyl acetoacetate and/or thiourea leading to the formation of 4-aroylmethylcyclopentane-1,3-dione (2) 5-aryl-3-oxocyclohexene-1,2-dicarboxylic acid (9), 2-imino-5-aroylmethylthiazolidin-4-one (11) and 6-aryl-2-sulfonylpyrimidine-4-carboxylic acid (14) depends on the medium employed; some compounds show moderate antiviral activities against tobacco necrosis virus.

scholarly journals Photoluminescent Coordination Polymers Based on Group 12 Metals and 1H-Indazole-6-Carboxylic Acid

Inorganics ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 20
Author(s):  
Antonio A. García-Valdivia ◽  
Estitxu Echenique-Errandonea ◽  
Gloria B. Ramírez-Rodríguez ◽  
José M. Delgado-López ◽  
Belén Fernández ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Coordination Polymers ◽  
Density Functional ◽  
Free Ligand ◽  
Emission Spectra ◽  
Point Of View ◽  
Theoretical Point ◽  
Fourier Transformed Infrared Spectroscopy ◽  
3D Network ◽  
The Stability

Two new coordination polymers (CPs) based on Zn(II) and Cd(II) and 1H-indazole-6-carboxylic acid (H2L) of general formulae [Zn(L)(H2O)]n (1) and [Cd2(HL)4]n (2) have been synthesized and fully characterized by elemental analyses, Fourier transformed infrared spectroscopy and single crystal X-ray diffraction. The results indicate that compound 1 possesses double chains in its structure whereas 2 exhibits a 3D network. The intermolecular interactions, including hydrogen bonds, C–H···π and π···π stacking interactions, stabilize both crystal structures. Photoluminescence (PL) properties have shown that compounds 1 and 2 present similar emission spectra compared to the free-ligand. The emission spectra are also studied from the theoretical point of view by means of time-dependent density-functional theory (TD-DFT) calculations to confirm that ligand-centred π-π* electronic transitions govern emission of compound 1 and 2. Finally, the PL properties are also studied in aqueous solution to explore the stability and emission capacity of the compounds.

Photophysical properties of N719 and Z907 dyes, benchmark sensitizers for dye-sensitized solar cells, at room and low temperature

2021 ◽  
Vol 23 (10) ◽  
pp. 6182-6189
Author(s):  
Dariusz M. Niedzwiedzki
Keyword(s):  
Solar Cells ◽  
Low Temperature ◽  
Optical Spectroscopy ◽  
Room Temperature ◽  
Photophysical Properties ◽  
Dye Sensitized Solar Cells ◽  
Time Resolved ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

Photophysical properties of N719 and Z907, benchmark Ru-dyes used as sensitizers in dye-sensitized solar cells, were studied by static and time-resolved optical spectroscopy at room temperature and 160 K.

Effects of Natural Cyclodextrins on the Photophysical Properties of Dibenzofuran-2-carboxylic Acid

2004 ◽  
Vol 108 (3) ◽  
pp. 392-402 ◽  
Author(s):  
Pablo R. Sainz-Rozas ◽  
José Ramón Isasi ◽  
Miguel Sánchez ◽  
Gloria Tardajos
Keyword(s):  
Carboxylic Acid ◽  
Photophysical Properties

Preparation and Properties of La2O3-CaO-P2O5 Glasses Doped with Eu3+ Ions

2016 ◽  
Vol 675-676 ◽  
pp. 376-379 ◽  
Author(s):  
Narun Luewarasirikul ◽  
Piyachat Meejitpaisan ◽  
Jakrapong Kaewkhao
Keyword(s):  
Calcium Phosphate ◽  
Molar Volume ◽  
Absorption Spectra ◽  
Room Temperature ◽  
Emission Spectra ◽  
Phosphate Glasses ◽  
Excitation Wavelength ◽  
Melt Quenching ◽  
Volume Measurements ◽  
Doped Glasses

Lanthanum calcium phosphate glasses doped with Eu3+ ions in compositions 20La2O3:10CaO:(70-x)P2O5:xEu2O3 (where x = 0.05, 0.10, 0.50 and 1.50 mol%) were prepared by melt-quenching technique. The density and molar volume measurements were carried out at room temperature. The absorption spectra were investigated in the UV-Vis-NIR region from 200 to 2500 nm. The emission spectra of Eu3+-doped glasses centered at 590 nm (5D0→7F1), 612 nm (5D0→7F2), 652 nm (5D0→7F3) and 699 nm (5D0→7F4) have been observed with 393 nm excitation wavelength.

scholarly journals Absorption and Emission Spectra for C60 Anions

1994 ◽  
Vol 14 (1-3) ◽  
pp. 155-160 ◽  
Author(s):  
Tatsuhisa Kato
Keyword(s):  
Absorption Spectrum ◽  
Absorption Band ◽  
Theoretical Analysis ◽  
Room Temperature ◽  
Emission Spectra ◽  
Mirror Image ◽  
Ir Absorption ◽  
Near Ir ◽  
Laser Experiments ◽  
Ir Bands

Absorption spectra are detected for C60− and C602− produced electrolytically in solution at room temperature. Theoretical analysis of the spectrum of C60− by CNDO/S calculations gives an interpretation of the characteristic near-IR bands, the weak visible bands, and the strong bands in the UV region. The emission spectrum of C60− is a mirror image of the near-IR absorption band, and the detection of the emission reconfirms our original assignment of the absorption spectrum. The nature of the spectrum of C602− is characterized by a similar orbital picture to that of C60−. Further laser experiments of significance are proposed.

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