• Title/Summary/Keyword: Charge transfer interaction

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Red Organic Light-emitting Diodes utilizing Energy Transfer and Charge Trapping

  • Kim, Ju-Seung;Gu, Hal-Bon
    • Transactions on Electrical and Electronic Materials
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    • v.6 no.3
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    • pp.91-96
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    • 2005
  • We report the efficient red light-emitting diodes based on the fluorescent dye 4-(dicyanomethylene)-2-i-propyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran (DCJTI) and 5,6,11,12-tetraphenyl naphthacene (rubrene) codoped in the tris(8-hydroxyquinoline)aluminum $(Alq_3)$. Luminance efficiency of 2.2 cd/A with a Commission International De L'Eclairage (CIE) chromaticity coordinate of x, y = (0.640, 0:350) are achieved at the driving current density of $20\;mA/cm^2$. Adding the rubrene to the DCJTI in tris(8-hydroxyquinoline)aluminum $(Alq_3)$, the red color purity and luminance efficiency improved comparing to the DCJTI only doped devices because the rubrene molecules assist the polarization effect of DCJTI by molecular interaction and enhance the energy transfer from $(Alq_3)$ to DCJTI.

A Novel Simulation Architecture of Configurational-Bias Gibbs Ensemble Monte Carlo for the Conformation of Polyelectrolytes Partitioned in Confined Spaces

  • Chun, Myung-Suk
    • Macromolecular Research
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    • v.11 no.5
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    • pp.393-397
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    • 2003
  • By applying a configurational-bias Gibbs ensemble Monte Carlo algorithm, priority simulation results regarding the conformation of non-dilute polyelectrolytes in solvents are obtained. Solutions of freely-jointed chains are considered, and a new method termed strandwise configurational-bias sampling is developed so as to effectively overcome a difficulty on the transfer of polymer chains. The structure factors of polyelectrolytes in the bulk as well as in the confined space are estimated with variations of the polymer charge density.

Optical Transmittance of Polybenzoxazole Precursor (폴리벤조옥사졸 전구체의 광투과도 연구)

  • 김대겸;김종화;최길영;오재민;이무영;박동원;이광섭;진문영
    • Polymer(Korea)
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    • v.26 no.1
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    • pp.18-27
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    • 2002
  • Poly(ο-hydroxyamide)s as polybenzoxazoles precursors were synthesized by polycondensation from 2,2'-bis(3-amino-4-hydroxyphenyl) hexafluoropropane and various bis-acids. And the polymers were modified to acid-sensitive polyamides by introducing tetrahydropyran in order to impart photosensitivity. A study of optical transmittance at 365 nm, according to the chemical structure of bis-acid, revealed that the polymer derived from 4,4'-oxydibenzoic acid showed better optical transparency than those from other bis-acids. This tendency of optical transmittance could be explained by formation of charge transfer complex. In case of the polymer derived from 4,4'-oxydibenzoic acid, the electron accepting characteristic of bis-acid is reduced by introduction of electron donating group, -O-. Thus, optical transmittance increased due to the diminished formation of intramolecular charge transfer complex. In addition, the optical transmittance increased with increasing the THP content in the polymer. This is attributed to the reduced intermolecular interaction by the loosening of the packing density of the polymer chain.

Thermodynamics of the Formation of Polynuclear Aromatics-Iodine Charge Transfer Complexes (여러고리 방향족 화합물과 요오드 사이의 전하이동 착물생성에 관한 열역학적 연구)

  • Oh Cheun Kwun;Jeong Rin Kim;Young Hoon Lee
    • Journal of the Korean Chemical Society
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    • v.29 no.6
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    • pp.575-581
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    • 1985
  • Ultraviolet spectrophotometric investigations have been carried out on the systems of benzene, naphthalene and phenanthrene with iodine in carbon tetrachloride. The results reveal the formation of the one to one molecular complexes. The equilibrium constants were obtained in consideration of that absorption maxima due to the formation of the charge transfer complexes shift to blue with increasing temperature. Thermodynamic parameters for the formation of the charge transfer complexes were calculated from these values. These results indicate that the stabilities of the complexes formed between polynuclear aromatics and iodine increase with the number of aromatic rings. This may be a measure of the relative basicities of polynuclear aromatics toward iodine, which is explained in terms of the resonance of the interaction between aromatics and iodine. The results in this study were, additionally, compared with those of the polymethylbenzene series to be discussed the reason for them.

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Spectrophotometric Determination of Ephedrine Alkaloids by Charge-Transfer Complexation (전하이동 착물형성에 의한 Ephedrine Alkaloids의 분석화학적 연구)

  • 옥치완;백채선
    • YAKHAK HOEJI
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    • v.31 no.5
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    • pp.330-337
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    • 1987
  • The weak UV absorbing ephedrine alkaloids such as ephedrine, pseudoephedrine, methylephedrine and norephedrine could be analyzed by charge-transfer spectrophotometric method. The results obtained are summarized as follows: (1) It was possible to determine a weak UV absorbing ephedrine alkaloids using the intense charge-transfer UV bands in chloroform. (2) This method was suitable for the spectrophotometric determination of ephedrine alkaloids in mixed pharmaceutical preparation. (3) Linear relationship was found between absorbance and concentration in the range of 1.0$\times$$10^{-5}M$~5$\times$$10^{-5}M$ of ephedrine ($\varepsilon$= 2.72$\times$$10^{4}LM^{-1}cm^{-1}$ and pseudoephedrine ($\varepsilon$=2.84$\times$$10^{4]LM^{-1}cm^{-1}$), 1.0$\times$$10^{-5}M$~5$\times$$10^{-5}$M of methylephdrine ($\varepsilon$=1.68$\times$$10^{4}LM^{-1}cm^{-1}$) and 1/3$\times$$10^{-4}M$~4/3$\times$$10^{-4}M$ of norephedrine ($\varepsilon$=0.74$\times$$10^{4}LM^{-1}cm^{-1}$. (4) CT- complex of ephedrine, pseudoephedrine and methylephedrine has absorption maxima at 293nm and norephedrine have absorption maximum at 253nm. (5) CT-complexes were formed in a 1:1 ratio between ephedrine alkaloids and iodine in chloroform. (6) By UV, IR, and $^1H$-NMR spectra, it could be inferred that CT-complexes were formed by interaction between the basic nitrogen of ephedrine alkaloids as electron (n) donor and iodine as electron ($\sigma$) acceptor.

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Fluorescence Behavior Associated with a Possible Intercolumnar Charge-transfer Interaction in the Crystalline State of a Dyad Consisting of Mesitylene and 1,4-Dicyano-2-methylnaphthalene Subunits

  • Ohta, Eisuke;Kobayashi, Hitoshi;Sakai, Atsushi;Matsui, Yasunori;Sato, Hiroyasu;Ikeda, Hiroshi
    • Rapid Communication in Photoscience
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    • v.4 no.2
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    • pp.31-33
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    • 2015
  • Fluorescence (FL) properties of a novel donor-acceptor dyad, comprised of mesitylene and 1,4-dicyano-2-methylnaphthalene (DCMN) subunits connected by an ether linkage, were elucidated. The dyad in cyclohexane exhibits FL arising from an intramolecular exciplex. In the crystalline state, the dyad does not emit light from intra- and inter-molecular exciplexes but rather displays FL that is nearly equivalent to that of 2-methoxymethyl-substituted DCMN. However, the emission spectrum of the crystalline dyad contains a shoulder in the long wavelength region, suggesting that weak intercolumnar charge-transfer interactions take place between columns consisting of the mesitylene and DCMN subunits.

Studies on the Cd(II)-Flavonoid Chelation Reactions (카드뮴(II)-플라보노이드 킬레이트 반응에 관한 연구)

  • Lee, Jeong-Ho;Shin, Sun-Woo;Baek, Seung-Hwa
    • YAKHAK HOEJI
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    • v.54 no.1
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    • pp.13-21
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    • 2010
  • The interaction of cadmium (II) ion with quercetin, qurecitrin and (+)-catechin was investigated in aqueous solution at various pH. The flavonoid/cadmium stochiometries for cadmium (II) binding to flavonoid have been determined by UV-visible spectroscopy. 1:1 Cd(II)-Flavonoid complex had a maximum absorbance and showed the bathochromic shift of the long-wavelength band of the UV-vis spectra in the alkaline pH, that occurs upon complexation, is due to a ligand-tometal charge transfer. The optimal concentration of Cd(II)-flavonoid complexes showed that complexation reaction could be classified in the following way: 55.27 ${\mu}M$ catechin > 54.72 ${\mu}M$ quercetin > 53.52 ${\mu}M$ quercitrin at the chelating site level. These results suggest that Cd(II)-flavonoid complex has the optimal condition of chelation in 0.2 M $NH_3$ - 0.2 M $NH_4Cl$ (pH 8.0) solution.

Photophysical Properties of 1,3-Dimethylnaphtho[1,2-e]uracil

  • Shim, Sang-Chul;Shin, Eun-Ju;Park, Seung-Ki;Kang, Ho-Kwon
    • Bulletin of the Korean Chemical Society
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    • v.7 no.3
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    • pp.196-200
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    • 1986
  • The solvent change and salt do not affect the fluorescence quantum yield of 1,3-dimethylnaphtho[1,2-e]uracil indicating the considerable energy gap between the lowest singlet $({\pi},\;{\pi}^{\ast})\;and\;(n,\;{\pi}^{\ast})$ states in the compound. The results are consistent with the strong quenching of fluorescence by ethyl iodide. Fluorescence quantum yield is nearly independent of temperature, probably due to the relatively inefficient internal conversion. Unusual spectral difference is observed in isopentane and ethanol at 77K. The temperature dependence of emission in isopentane and in ethanol suggests that the increase of charge transfer character by the conformational change in isopentane leads to the structureless and red-shifted fluorescence, while in ethanol the decrease of the charge transfer character by the hydrogen bonding interaction results in the structured and blue-shifted fluorescence along with phosphorescence at the low temperature. Temperature dependence of emission in poly(methylmethacrylate) matrix indicates that $T_1{\to}S_0$ radiationless decay is an important process responsible for the strong temperature dependence of phosphorescence.

Toward Charge Neutralization of CVD Graphene

  • Kim, Soo Min;Kim, Ki Kang
    • Applied Science and Convergence Technology
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    • v.24 no.6
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    • pp.268-272
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    • 2015
  • We report the systematic study to reduce extrinsic doping in graphene grown by chemical vapor deposition (CVD). To investigate the effect of crystallinity of graphene on the extent of the extrinsic doping, graphene samples with different levels of crystal quality: poly-crystalline and single-crystalline graphene (PCG and SCG), are employed. The graphene suspended in air is almost undoped regardless of its crystallinity, whereas graphene placed on an $SiO_2/Si$ substrate is spontaneously p-doped. The extent of p-doping from the $SiO_2$ substrate in SCG is slightly lower than that in PCG, implying that the defects in graphene play roles in charge transfer. However, after annealing treatment, both PCG and SCG are heavily p-doped due to increased interaction with the underlying substrate. Extrinsic doping dramatically decreases after annealing treatment when PCG and SCG are placed on the top of hexagonal boron nitride (h-BN) substrate, confirming that h-BN is the ideal substrate for reducing extrinsic doping in CVD graphene.

Atomic Study of Oxidation of Si(001) surface by MD Simulation

  • Pamungkas, Mauludi Ariesto;Kim, Byung-Hyun;Joe, Min-Woong;Lee, Kwang-Ryeol
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.360-360
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    • 2010
  • Very initial stage of oxidation process of Si (001) surface was investigated using large scale molecular dynamics simulation. Reactive force field potential was used for the simulation owing to its ability to handle charge variation associated with the oxidation reaction. To know the detail mechanism of both adsorption and desorption of water molecule (for simulating wet oxidation), oxygen molecule (for dry oxidation) and their atom constituents, interaction of one molecule with Si surface was carefully observed. The simulation is then continued with many water and oxygen molecules to understand the kinetics of oxide growth. The results show that possibilities of desorption and adsorption depend strongly on initial atomic configuration as well as temperature. We observed a tendency that H atoms come relatively into deeper surface or otherwise quickly desorbed away from the silicon surface. On the other hand, most oxygen atoms are bonded with first layer of silicon surface. We also noticed that charge transfer is only occur in nearest neighbor regime which has been pointed out by DFT calculation. Atomic structure of the interface between the oxide and Si substrate was characterized in atomic scale.

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