scholarly journals Experimental and Theoretical Studies on the Structure and Photoluminescent Properties of New Mononuclear and Homodinuclear Europium(III)β-Diketonate Complexes

2015 ◽  
Vol 2015 ◽  
pp. 1-11 ◽  
Author(s):  
João P. Martins ◽  
Pablo Martín-Ramos ◽  
Pedro Chamorro-Posada ◽  
Pedro S. Pereira Silva ◽  
Jesús Martín-Gil ◽  
...  
Keyword(s):  
State Energy ◽  
Luminescent Properties ◽  
Molecular Devices ◽  
Theoretical Studies ◽  
X Ray Diffraction ◽  
Excited State Energy ◽  
X Ray ◽  
Promising Tool ◽  
Experimental And Theoretical Studies ◽  
Ground State Geometry

Two novel europium(III) complexes, a monomer and a homodimer, with 1-(4-chlorophenyl)-4,4,4-trifluoro-1,3-butanedione (Hcbtfa) and 5-chloro-1,10-phenanthroline (cphen) ligands, formulated as [Eu(cbtfa)3(cphen)] and [Eu2(cbtfa)4(cphen)2(CH3O)2], have been synthesized. Their structures have been elucidated by X-ray diffraction and their absorption and emission properties have been studied in the solid state. The experimental data has then been used to test the recently released LUMPAC software, a promising tool which can facilitate the design of more efficient lanthanide light-conversion molecular devices by combining ground state geometry, excited state energy, and luminescent properties calculations.

scholarly journals A SF5 Derivative of Triphenylphosphine as an Electron-Poor Ligand Precursor for Rh and Ir Complexes

Molecules ◽  
2020 ◽  
Vol 25 (17) ◽  
pp. 3977
Author(s):  
Maria Talavera ◽  
Silke Hinze ◽  
Thomas Braun ◽  
Reik Laubenstein ◽  
Roy Herrmann
Keyword(s):  
Dft Calculations ◽  
Cone Angle ◽  
Molecular Structures ◽  
Theoretical Studies ◽  
Rhodium Complexes ◽  
Coupling Constant ◽  
X Ray Diffraction ◽  
X Ray ◽  
Experimental And Theoretical Studies

The synthesis of the triarylphosphine, P(p-C6H4SF5)3 containing a SF5 group, has been achieved. The experimental and theoretical studies showed that P(p-C6H4SF5)3 is a weaker σ-donor when compared with other substituted triarylphosphines, which is consistent with the electron-withdrawing effect of the SF5 moiety. The studies also revealed a moderate air stability of the phosphine. The σ-donor capabilities of P(p-C6H4SF5)3 were estimated from the phosphorus-selenium coupling constant in SeP(p-C6H4SF5)3 and by DFT calculations. The behavior of P(p-C6H4SF5)3 as ligand has been investigated by the synthesis of the iridium and rhodium complexes [MCl(COD){P(p-C6H4SF5)3}], [MCl(CO)2{P(p-C6H4SF5)3}2] (M = Ir, Rh), or [Rh(µ-Cl)(COE){P(p-C6H4SF5)3}]2, and the molecular structures of [IrCl(COD){P(p-C6H4SF5)3}] and [Rh(µ-Cl)(COE){P(p-C6H4SF5)3}]2 were determined by single X-ray diffraction. The structures revealed a slightly larger cone angle for P(p-C6H4SF5)3 when compared to other para-substituted triarylphosphines.

Experimental and Theoretical Studies of Charge Density Distribution in E-Tetraethyl-1,4-diammoniumbut-2-ene.2PF6

1997 ◽  
Vol 53 (1) ◽  
pp. 181-187 ◽  
Author(s):  
K. L. McCormack ◽  
P. R. Mallinson ◽  
B. C. Webster ◽  
D. S. Yufit ◽  
L. A. Slater ◽  
...  
Keyword(s):  
Molecular Orbital Calculation ◽  
Electronic Charge ◽  
Theoretical Studies ◽  
X Ray Diffraction ◽  
Charge Density Distribution ◽  
X Ray ◽  
Electronic Charge Distribution ◽  
High Level ◽  
Experimental And Theoretical Studies ◽  
Resolution Single

The [PF6]− salt of E-tetraethyl-l,4-diaminobut-2-ene has been synthesized and the crystal structure determined. The experimental electronic charge distribution has been obtained by fitting a multipole model to low-temperature, high-resolution, single-crystal X-ray diffraction data. A high-level ab initio molecular orbital calculation has also been performed for the cation, which is used as an antifungal agent. Both experimental and theoretical Laplacian distributions display maxima only at the bond critical points. This correlates with a calculated electrostatic potential which is positive at all points.

scholarly journals Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies

RSC Advances ◽  
2018 ◽  
Vol 8 (69) ◽  
pp. 39394-39407 ◽  
Author(s):  
Ruyu Wang ◽  
Xi Shu ◽  
Yu Fan ◽  
Shoujian Li ◽  
Yongdong Jin ◽  
...  
Keyword(s):  
Single Crystal ◽  
Theoretical Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Electron Withdrawing Group ◽  
Experimental And Theoretical Studies

A series of asymmetric tris-urea receptors with electron withdrawing group (EWG) or electron donating group (EDG), L1–L4, were synthesized and characterized by HRMS, NMR and single-crystal X-ray diffraction techniques.

Luminescent Properties of Gd2MoO6:Eu3+ Nanophosphor for WLEDs

2021 ◽  
Author(s):  
Yan Chen ◽  
Yuemei Lan ◽  
Dong Wang ◽  
Guoxing Zhang ◽  
Wenlong Peng ◽  
...  
Keyword(s):  
Electron Microscope ◽  
Transmission Electron Microscope ◽  
Fluorescence Spectra ◽  
Solvothermal Method ◽  
Luminescent Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
Transmission Electron

A series of Gd2-xMoO6:xEu3+(x=0.18-0.38) nanophosphors were synthesized by the solvothermal method. The properties of this nanophosphor were characterized by x-ray diffraction (XRD), transmission electron microscope (TEM), fluorescence spectra and diffuse...

Luminescent Properties of Zn2SiO4:Eu3+,Dy3+ Phosphors via Sol-Gel Process

2012 ◽  
Vol 217-219 ◽  
pp. 733-736
Author(s):  
Xiu Mei Han ◽  
Shu Ai Hao ◽  
Ying Ling Wang ◽  
Gui Fang Sun ◽  
Xi Wei Qi
Keyword(s):  
Thermal Analysis ◽  
Ir Spectra ◽  
Sol Gel ◽  
Luminescent Properties ◽  
Photoluminescence Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Sol Gel Process ◽  
Ft Ir

Zn2SiO4:Eu3+, Dy3+ phosphors have been prepared through the sol-gel process. X-ray diffraction (XRD), thermogravimetric and ddifferential thermal analysis (TG-DTA), FT-IR spectra and photoluminescence spectra were used to characterize the resulting phosphors. The results of XRD indicated that the phosphors crystallized completely at 1000oC. In Zn2SiO4:Eu3+,Dy3+ phosphors, the Eu3+ and Dy3+ show their characteristic red(613nm, 5D0-7F2), blue (481nm, 4F9/2–6H15/2) and yellow (577nm, 4F9/2–6H13/2) emissions.

Synthesis of CaWO4:(Eu3+,Tb3+) Thin Films by a Two-Step Method at Room Temperature

2013 ◽  
Vol 710 ◽  
pp. 170-173
Author(s):  
Lian Ping Chen ◽  
Yuan Hong Gao
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Phase Composition ◽  
Room Temperature ◽  
Electrochemical Techniques ◽  
Luminescent Properties ◽  
X Ray Diffraction ◽  
Step Method ◽  
X Ray ◽  
Rare Earth Doped

It is hardly possible to obtain rare earth doped CaWO4thin films directly through electrochemical techniques. A two-step method has been proposed to synthesize CaWO4:(Eu3+,Tb3+) thin films at room temperature. X-ray diffraction, energy dispersive X-ray analysis, spectrophotometer were used to characterize their phase, composition and luminescent properties. Results reveal that (Eu3+,Tb3+)-doped CaWO4films have a tetragonal phase. When the ratio of n (Eu)/n (Tb) in the solution is up to 3:1, CaWO4:(Eu3+,Tb3+) thin film will be enriched with Tb element; on the contrary, when the ratio in the solution is lower than 1:4, CaWO4:(Eu3+,Tb3+) thin film will be enriched with Eu element. Under the excitation of 242 nm, sharp emission peaks at 612, 543, 489 and 589 nm have been observed for CaWO4:(Eu3+,Tb3+) thin films.

A series of microporous and robust Ln-MOFs showing luminescent properties and catalytic performances towards Knoevenagel reactions

2021 ◽  
Author(s):  
Qing-Xia Yao ◽  
Miaomiao Tian ◽  
Jun Zheng ◽  
Jintang Xue ◽  
Xuze Pan ◽  
...  
Keyword(s):  
Single Crystal ◽  
Metal Organic Frameworks ◽  
Luminescent Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
Metal Organic ◽  
Catalytic Performances

A series of microporous Ln(III)-based metal-organic frameworks (1-Ln) have been hydrothermally synthesized by using 4,4',4''-nitrilotribenzoic acid (H3NTB). Single crystal X-ray diffraction analyses show 1-Ln are isostructural and have 3D porous...

scholarly journals Synthesis, Crystal Structure, and Properties of a New Coordination Polymer Built from N/O-Donor Mixed Ligands

Crystals ◽  
2018 ◽  
Vol 8 (10) ◽  
pp. 372
Author(s):  
Mei-An Zhu ◽  
Shuai-Shuai Han ◽  
Feng Deng ◽  
Jia-Le Li ◽  
Shui-Sheng Chen
Keyword(s):  
Coordination Polymer ◽  
Weak Interactions ◽  
Three Dimensional ◽  
Luminescent Properties ◽  
Tridentate Ligand ◽  
Supramolecular Polymer ◽  
X Ray Diffraction ◽  
X Ray ◽  
Mixed Ligands ◽  
Benzenedicarboxylic Acid

The coordination polymer, namely, [Cd(H2L)(nobda)]n (1) was prepared by the reaction of Cd(NO3)2·4H2O with 4-amino-1,2-benzenedicarboxylic acid (H2nobda) and 1,4-di(1H-imidazol-4-yl)benzene (H2L), and characterized by single-crystal X-ray diffraction, elemental analysis, infrared (IR) spectroscopy, thermogravimetric analysis, and powder X-ray diffraction (PXRD). The carboxylic acid of H2nobda ligands was completely deprotonated to be nobda2− anions, which act as tridentate ligand to connect the Cd2+ to form two-dimensional (2D) network, while the neutral H2L ligands serve as a linear didentate bridge to connect two adjacent Cd2+ ions upper and down the 2D layer. The adjacent 2D layers were further linked into the three-dimensional (3D) supramolecular polymer by the weak interactions such as hydrogen bonds and π−π stacking interactions. The ultraviolet-visible (UV-vis) absorption spectra and luminescent properties in the solid state at room temperature have been investigated.

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