Synthesis, Characterization and Photophysical Properties of a New CuI Complexe Contain Bis[2-(diphenylphosphino)phenyl]ether and 1,2-diphenyl-1H-imidazo[4,5-f][1,10]phenanthroline

2014 ◽  
Vol 988 ◽  
pp. 62-65
Author(s):  
Qiang Li ◽  
Rong Feng Zhong ◽  
Le Li ◽  
Min Wang ◽  
Feng Zhao
Keyword(s):  
Experimental Data ◽  
Photophysical Properties ◽  
Phenyl Group ◽  
High Energy ◽  
Red Shift ◽  
Phenyl Ether ◽  
Group System ◽  
H Nmr ◽  
Emission Maximum ◽  
Diimine Ligand

In this paper, a new diimine ligand of 1,2-diphenyl-1H-imidazo[4,5-f][1,10]phenanthroline (D2) and its corresponding CuI complex [Cu(D2)(DPEphos)](PF6) (P2)contain Bis[2-(diphenylphosphino)phenyl]ether were synthesized and characterized by 1H NMR successfully. Experimental data confirm that Complex P2 is high-energy-emitting one with the emission maximum locates at λ = 582 nm.Compared with P1, It seems that the introduction of phenyl group system lead to 13 nm red shift of emissive energy, and the effect is obvious.

Synthesis, Characterization and Photophysical Properties of a New CuI Complexe Contain Bis[2-(diphenylphosphino)phenyl]ether and 2-(anthracen-9-yl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline

2014 ◽  
Vol 1033-1034 ◽  
pp. 1163-1166
Author(s):  
Ji Ling He
Keyword(s):  
Experimental Data ◽  
Photophysical Properties ◽  
Broad Band ◽  
High Energy ◽  
Phenyl Ether ◽  
H Nmr ◽  
Emission Maximum ◽  
Broad Band Emission ◽  
Band Emission ◽  
Diimine Ligand

In this paper, a new diimine ligand of 2-(anthracen-9-yl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline(D1) and its corresponding CuI complex contain Bis[2-(diphenylphosphino)phenyl]ether were synthesized and characterized by 1H NMR successfully. Experimental data confirm that Complex [Cu(D1)(DPEphos)](PF6) is high-energy-emitting one. The broad band emission upon excitation at λ = 400 nm with the emission maximum locates at λ = 579 nm was observed. This makes them potential candidates as cheap emitting materials.

Synthesis, Characterization and Photophysical Properties of a New CuI Complexe Contain Bis[2-(diphenylphosphino)phenyl] ether and 7,10-Dimethyl Pyrazino [2,3-f][1,10]phenanthroline

2014 ◽  
Vol 941-944 ◽  
pp. 610-613
Author(s):  
Qiang Li ◽  
Zhenh Xiong ◽  
Rongf Zhong ◽  
Feng Zhao
Keyword(s):  
Experimental Data ◽  
1H Nmr ◽  
Photophysical Properties ◽  
Broad Band ◽  
High Energy ◽  
Red Shift ◽  
Phenyl Ether ◽  
Emission Maximum ◽  
Broad Band Emission ◽  
Band Emission

In this paper, a new CuI complex containing the bis[2-(diphenylphosphino)phenyl]ether and 7,10-Dimethyl Pyrazino [2,3-f][1,10]phenanthroline have been syntheized and characterized by 1H NMR successfully. Experimental data confirm that Complex [Cu(dppl)(DPEphos)](PF6) is high-energy-emitting one. The broad band emission upon excitation at λ = 420 nm with the emission maximum locates at λ = 577 nm was observed. The introduction of DPEphos system leads to red shift of emissive about 11 nm than complex [Cu(dppl)2](PF6). This makes them potential candidates as cheap emitting materials.

Synthesis , Characterization and Photophysical Properties of a New Cui Complexe Contain Bis[2-(diphenylphosphino)phenyl]ether and 2-(naphthalen-2-yl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline

2014 ◽  
Vol 1004-1005 ◽  
pp. 588-591
Author(s):  
Qiang Li ◽  
Rong Feng Zhong ◽  
Feng Zhao
Keyword(s):  
Experimental Data ◽  
1H Nmr ◽  
Photophysical Properties ◽  
Broad Band ◽  
High Energy ◽  
Phenyl Ether ◽  
Emission Maximum ◽  
Broad Band Emission ◽  
Band Emission ◽  
Diimine Ligand

In this paper, a new diimine ligand of 2-(naphthalen-2-yl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline(E2) and its corresponding CuI complex contain Bis[2-(diphenylphosphino)phenyl]ether were synthesized and characterized by 1H NMR successfully. Experimental data confirm that Complex [Cu(E2)(DPEphos)](PF6) is high-energy-emitting one. The broad band emission upon excitation at λ = 400 nm with the emission maximum locates at λ = 582 nm was observed. This makes them potential candidates as cheap emitting materials.

Synthesis, Characterization and Photophysical Properties of Rhenium(I) Complexe with 2-(naphthalen-2-yl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline

2014 ◽  
Vol 988 ◽  
pp. 66-69
Author(s):  
Qiang Li ◽  
Le Li ◽  
Rong Feng Zhong ◽  
Hai Di Cai ◽  
Feng Zhao
Keyword(s):  
Experimental Data ◽  
Solid State ◽  
Photophysical Properties ◽  
Broad Band ◽  
High Energy ◽  
H Nmr ◽  
Emission Maximum ◽  
Broad Band Emission ◽  
Band Emission

In this paper, a Re(I) complex [Re(CO)3(E2)Cl], where E2 = 2-(naphthalen-2-yl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline(E2), was synthesized and characterized by 1H NMR successfully. Experimental data confirm that Re(I) complex [Re(CO)3(E2)Cl] is high-energy-emitting one. The broad band emission upon excitation at λ = 400 nm with the emission maximum locates at λ = 581 nm in solid state and 614nm in CH2Cl2 solution were observed.

Synthesis, Characterization and Photophysical Properties of CuI Complexe with 7,10-Dimethyl Pyrazino [2,3-f][1,10]phenanthroline

2014 ◽  
Vol 881-883 ◽  
pp. 201-204
Author(s):  
Qiang Li ◽  
Wen Qu Liu ◽  
Feng Zhao
Keyword(s):  
Experimental Data ◽  
1H Nmr ◽  
Photophysical Properties ◽  
Broad Band ◽  
High Energy ◽  
Cu Complex ◽  
Emission Maximum ◽  
Broad Band Emission ◽  
Band Emission ◽  
Cu Complexes

In this paper, a diimine compound of 7,10-DimethylPyrazino[2,3-f][1,10]phenanthroline (dppl) and its corresponding phosphorescent Cu complexes were synthesized and characterized by 1H NMR successfully. Experimental data confirm that Cu Complex is high-energy-emitting one. The broad band emission upon excitation at λ = 440 nm with the emission maximum locates at λ = 566 nm was observed. This makes them potential candidates as cheap emitting materials.

Study of potential curves by UHF type methods. CH4 molecule and its dissociation products

1986 ◽  
Vol 51 (4) ◽  
pp. 731-737
Author(s):  
Viliam Klimo ◽  
Jozef Tiňo
Keyword(s):  
Experimental Data ◽  
Quantum Chemistry ◽  
High Energy ◽  
Basis Set ◽  
Electronic Correlation ◽  
Exact Methods ◽  
Energy Parameters ◽  
Bond Functions ◽  
The Individual ◽  
Potential Curves

Geometry and energy parameters of the individual dissociation intermediate steps of CH4 molecule, parameters of the barrier to linearity and singlet-triplet separation of the CH2 molecule have been calculated by means of the UMP method in the minimum basis set augmented with the bond functions. The results agree well with experimental data except for the geometry of CH2(1A1) and relatively high energy values of CH(2II) and CH2(1A1) where the existence of two UHF solutions indicates a necessity of description of the electronic correlation by more exact methods of quantum chemistry.

scholarly journals Exciton Coupling and Conformational Changes Impacting the Excited State Properties of Metal Organic Frameworks

Molecules ◽  
2020 ◽  
Vol 25 (18) ◽  
pp. 4230
Author(s):  
Andreas Windischbacher ◽  
Luca Steiner ◽  
Ritesh Haldar ◽  
Christof Wöll ◽  
Egbert Zojer ◽  
...  
Keyword(s):  
Conformational Changes ◽  
Photophysical Properties ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Red Shift ◽  
Light Emitting ◽  
Light Emitting Devices ◽  
Exciton Coupling ◽  
Metal Organic ◽  
Crystalline Metal

In recent years, the photophysical properties of crystalline metal-organic frameworks (MOFs) have become increasingly relevant for their potential application in light-emitting devices, photovoltaics, nonlinear optics and sensing. The availability of high-quality experimental data for such systems makes them ideally suited for a validation of quantum mechanical simulations, aiming at an in-depth atomistic understanding of photophysical phenomena. Here we present a computational DFT study of the absorption and emission characteristics of a Zn-based surface-anchored metal-organic framework (Zn-SURMOF-2) containing anthracenedibenzoic acid (ADB) as linker. Combining band-structure and cluster-based simulations on ADB chromophores in various conformations and aggregation states, we are able to provide a detailed explanation of the experimentally observed photophysical properties of Zn-ADB SURMOF-2: The unexpected (weak) red-shift of the absorption maxima upon incorporating ADB chromophores into SURMOF-2 can be explained by a combination of excitonic coupling effects with conformational changes of the chromophores already in their ground state. As far as the unusually large red-shift of the emission of Zn-ADB SURMOF-2 is concerned, based on our simulations, we attribute it to a modification of the exciton coupling compared to conventional H-aggregates, which results from a relative slip of the centers of neighboring chromophores upon incorporation in Zn-ADB SURMOF-2.

scholarly journals High energy cosmic ray interactions and UHECR composition problem

2019 ◽  
Vol 210 ◽  
pp. 02001
Author(s):  
Sergey Ostapchenko
Keyword(s):  
Experimental Data ◽  
Monte Carlo ◽  
Cosmic Rays ◽  
Cosmic Ray ◽  
High Energy ◽  
Ultra High Energy ◽  
Hadronic Interactions ◽  
High Energy Cosmic Rays ◽  
Cosmic Ray Interactions ◽  
Composition Problem

The differences between contemporary Monte Carlo generators of high energy hadronic interactions are discussed and their impact on the interpretation of experimental data on ultra-high energy cosmic rays (UHECRs) is studied. Key directions for further model improvements are outlined. The prospect for a coherent interpretation of the data in terms of the UHECR composition is investigated.

Algorithms for determining the phase of RHEED oscillations

2015 ◽  
Vol 48 (6) ◽  
pp. 1927-1934 ◽  
Author(s):  
Zbigniew Mitura ◽  
Sergei L. Dudarev
Keyword(s):  
Experimental Data ◽  
Direct Method ◽  
Incident Beam ◽  
Diffraction Theory ◽  
High Energy ◽  
Angle Of Incidence ◽  
High Energy Electron ◽  
Dynamical Diffraction ◽  
Glancing Angle ◽  
Low Symmetry

Oscillations of reflection high-energy electron diffraction (RHEED) intensities are computed using dynamical diffraction theory. The phase of the oscillations is determined using two different approaches. In the first, direct, approach, the phase is determined by identifying the time needed to reach the second oscillation minimum. In the second approach, the phase is found using harmonic analysis. The two approaches are tested by applying them to oscillations simulated using dynamical diffraction theory. The phase of RHEED oscillations observed experimentally is also analysed. Experimental data on the variation of the phase as a function of the glancing angle of incidence, derived using the direct method, are compared with the values computed using both the direct and harmonic methods. For incident-beam azimuths corresponding to low-symmetry directions, both approaches produce similar results.

SOME CHARACTERISTICS OF THE COMPOUND MULTIPLICITY IN HIGH-ENERGY NUCLEUS–NUCLEUS INTERACTIONS

2011 ◽  
Vol 20 (08) ◽  
pp. 1735-1754 ◽  
Author(s):  
M. MOHERY ◽  
M. ARAFA
Keyword(s):  
Experimental Data ◽  
Impact Parameter ◽  
Mass Number ◽  
Multiplicity Distribution ◽  
High Energy ◽  
Projectile Nucleus ◽  
Target Mass ◽  
Compound Multiplicity ◽  
Multiplicity Distributions ◽  
The Impact

The present paper deals with the interactions of 22 Ne and 28 Si nuclei at (4.1–4.5)A GeV /c with emulsion. Some characteristics of the compound multiplicity nc given by the sum of the number of shower particles ns and grey particles ng have been investigated. The present experimental data are compared with the corresponding ones calculated according to modified cascade evaporation model (MCEM). The results reveal that the compound multiplicity distributions for these two reactions are consistent with the corresponding ones of MCEM data. It can also be seen that the peak of these distributions shifts towards a higher value of nc with increasing projectile mass. It may further be seen that the compound multiplicity distributions becomes broader with increasing target size and its width increases with the size of the projectile nucleus. In addition, it has been found that the MCEM can describe the compound multiplicity characteristics of the different projectile, target and the correlation between different emitted particles. The values of average compound multiplicity increase with increasing mass of the projectile. Furthermore, it is observed that while the value of 〈nc〉 depends on the mass number of the projectile Ap and the target mass number At, the value of the ratio 〈nc〉/D(nc) seems to be independent of Ap and At. The impact parameter is found to affect the shape of the compound multiplicity distribution. Finally, the dependence of the average compound multiplicity on the numbers of grey and black particles, and the sum of them, is obvious. The values of the slope have been found to be independent of the projectile nucleus.

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