• Rapid Communication in Photoscience
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• 제3권4호
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• pp.61-63
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• 2014

3,7-bis(4-(diphenylamino)phenyl)-5-phenyl-5H-benzo[b]phosphinedole 5-sulfide (DBPPS-TPA) and 3,7-bis(4-(diphenylamino)phenyl)-5-phenyl-5H-benzo[b]phosphinedole 5-selenide (DBPPSe-TPA) are newly synthesized D-A-D type molecules based on dibenzophospholes and their physic-chemical properties are studied in comparison with a P=O type compouond, 3,7-bis(4-(diphenylamino)-5-phenyl-5H-benzo[b]phosphinedole 5-oxide (DBPPO-TPA). Fluorescence emission and electrochemical redox properties of these compounds are investigated regarding results of density functional theory (DFT) calculations, X-ray crystallographic structures and UV-vis absorption spectra. These results exhibit systematic variation in optical properties of these compounds having P=O, P=S, and P=Se units. LUMO energy level is systematically modulated with different chalcogenide atoms.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2011년도 춘계학술대회 초록집
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• pp.120.2-120.2
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• 2011

The improvement of solar energy-to-electricity conversion efficiency has continued to be an important research area of dye-sensitized solar cells (DSSCs). The mechanism of DSSCs is based on the injection of electrons from the photoexcited dye into the conduction band of nanocrystalline TiO2 or ZnO. Thus, the electronic structures, such as HOMO, LUMO, and HOMO-LUMO band gaps of dye moleculed in DSSC are deeply related to the electron transfer by photoexcitation and redox potential. Organic dyes, because of their many advantages, such as high molar extinction coefficients, convenience of customized molecular design for desired photophysical and photochemical properties, inexpensiveness with no transition metals contained, and environment-friendliness, are suitable as photosensitizers for DSSC. We believe that practically useful organic dye photosensitizers can be produced by exploiting electron donor/acceptor system with proper length of ${\pi}$-conjugation in a chromophore to control the absorption wavelength and enhance the photovoltaic performance. In this research, We designed and synthesized organic dyes also investigated the photoelectrochemical properties of a series of ionic dyes in DSSCs.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 1999년도 춘계학술대회 논문집
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• pp.601-604
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• 1999

Electroluminescence(EL) devices based on organic thin films have attracted lots of interests in large-area light-emitting display. Recently, many EL researcher have interested a new emissive organic material. In this study, light-emitting organic electroluminescent devices were fabricated using Langmuir-Blodgett(LB) technique with new emissive organic material. This new emissive organic material were synthesis by our teams and we called PECCP [poly(3,6-N-2ethylhexyl carbazoly cyanoterephthalidene)] which has strong electron donor group and electron acceptor group in main chain repeat unit. This material has good solubility in common organic solvent such as chloroform. THF, etc. and has a good stability in air. In here, the new emissive material is applied to Langmuir-Blodgett(LB) method because our new material has a good stability in air. Optimum conditions of film deposition were examined by a surface pressure-area( $\pi$ -A) isotherms with various factors. The LB film were deposited on a indium Tin Oxide(ITO) glass. We were investigated by measuring current-voltage(I-V) characteristics. Also we were measured the UV/visible absorption at about 410nm and PL spectrum at about 530nm. We are attempt to the electroluminescence device properties of the new emissive material by Langmuir-Blodgett(LB) technique.

• 한국염색가공학회:학술대회논문집
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• 한국염색가공학회 2010년도 제3회 국제학회
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• pp.49-50
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• 2010

The near-infrared absorbing donor-acceptor chromophores have been investigated by varying the electron donating and accepting molecular moiety. A series of near-infrared absorbing chromophores were offered narrow and intense absorption band in a various organic solvents. The dyes synthesised were, however, strongly bathochromic shift which extended well into the near-infrared region. The functional uses of dyes are vast in number, and it is convenient to classify them in some way. In all cases, it is the $\Pi$-chromophore that plays a major role in the functional application. "Light absorption" is of course the most commonly used property of a dye chromophore, and it can be employed directly, e.g. in light filters and optical data recording, or it can be used to drive further functional processes, e.g. fluorescence, photochromism, photosensitization.

• Bulletin of the Korean Chemical Society
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• 제11권1호
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• pp.49-54
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• 1990

The gas-phase thermolysis reactions of ${\alpha}$- and ${\beta}$-methylated ethyl formates, Y = $CH-X-CHR_1CH_2R_2$ where X = Y = O or S and $R_1\;=\;R_2$ = H or $CH_3$, are investigated theoretically using the AM1 method. The experimental reactivity order is reproduced correctly by AM1 in all cases. The thermolysis proceeds through a six-membered cyclic transition state conforming to a retro-ene reaction, which can be conveniently interpreted using the frontier orbital theory of three-species interactions. The methyl group substituted at $C_{\alpha}\;or\;C_{\beta}$ is shown to elevate the ${\pi}$-HOMO of the donor fragment (Y = C) and depress the ${\sigma}^{\ast}$-LUMO of the acceptor fragment ($C_{\beta}$-H), increasing the nucleophilicity of Y toward ${\beta}$-hydrogen which in turn increases the reactivity. The two bond breaking processes of the $C_{\alpha}$-X and $C_{\beta}$-H bonds are concerted but not synchronous so that the reaction takes place in two stages as Taylor suggested. The initial cleavage of $C_{\alpha}$-X is of little importance but the subsequent scission of $C_{\beta}$-H occurs in a rate determining stage.

• Bulletin of the Korean Chemical Society
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• 제19권10호
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• pp.1105-1109
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• 1998

A chiral stationary phase derived from (S)-N-(3,5-dinitrobenzoyl)leucine N-phenyl N-alkyl amide (CSP 2) was applied in separating the two enantiomers of various π-basic aromatic derivatives of leucine N-propyl amide in order to evaluate π-basic aromatic groups as an effective derivatizing group for the resolution of a-amino acids. Subsequently N-(3,5-dimethoxybenzoyl) group was found to be very effective as a π-basic aromatic derivatizing group. Based on these results, N-(3,5-dimethoxybenzoyl) derivatives of various a-amino N-propyl amides, N,N-diethyl amides and esters were resolved on the CSP derived from (S)-N-(3,5-dinitrobenzoyl) leucine N-phenyl N-alkyl amide (CSP 2) and the resolution results were compared with those on the CSP derived from (S)-N-(3,5-dinitrobenzoyl)leucine N-alkyl amide (CSP 1). The enantioselectivities exerted by CSP 2 were much greater than those exerted by CSP 1. In addition, racemic N-(3,5-dimethoxybenzoyl)-a-mino N,Ndiethyl amides were resolved much better than the corresponding N-(3,5-dimethoxybenzoyl)-a-mino N-propyl amides and esters on both CSPs. Based on these results, a chiral recognition mechanism utilizing the π-π donor-acceptor interaction and the two hydrogen bondings between the CSP and the analyte was proposed.

• 상하수도학회지
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• 제28권4호
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• pp.419-429
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• 2014

Recent studies have been reported the presence of Endocrine Disrupting Compounds, Pharmaceuticals and Personal Care Products (EDC/PPCPs) in surface and wastewater, which could potentially affect to the complicate behavior in coupled presence of nano-colloid particles and surfactants (adsorption, dispersion, and partitioning). In this study, the adsorption of EDC/PPCPs by Single Walled Carbon Nanotubes (SWNTs) as a representative of nano-particles in cationic surfactant solutions were investigated. Hydrophobic interactions (${\pi}-{\pi}$ Electron Donor-Acceptor) have been reported as a potential adsorption mechanisms for EDC/PPCPs onto SWNTs. Generally, the adsorptive capacity of the relatively hydrophobic EDC/PPCPs onto SWNTs decreased in the presence of cationic surfactant (Cetyltrimethyl Ammonium Bromide, CTAB). This study revealed that the competitive adsorption occurred between CTAB cations and EDC/PPCPs by occupying the available SWNT surface (CTAB adsorption onto SWNTs shows five-regime and maximum adsorption capacity of 370.4 mg/g by applying the BET isotherm). The adsorption capacity of $17{\alpha}$-ethinyl estradiol (EE2) on SWNT showed the decrease of 48% in the presence of CTAB. However, the adsorbed naproxen (NAP) surely increased by forming hemimicelles and resulted in a favorable media formation for NAP partition to increase SWNTs adsorption capacity. The adsorbed NAP increased from 24 to 82.9 mg/g after the interaction of CTAB with NAP. The competitive adsorption for EDC/PPCPs onto SWNTs is likely to be a key factor in the presence of cationic surfactant, however, NAP adsorption showed a slight competition through $CH_3-CH_3$ interaction by forming hemimicelles on SWNT surface.

• 폴리머
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• 제29권5호
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• pp.486-492
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• 2005

적색을 낼 수 있는 물질을 만들기 위해 비공액 주사슬로 되어 있는 고분자의 곁사슬에 스티렌 분자가 연결되어 있는 트리페닐아민, 반응성 있는 작용기를 가진 아미노벤즈알데히드 그룹, 및 PM(4-(dicyanomethylene)-2-(tertbutyl)4H-pyran) 그룹을 도입하였다. 이 고분자의 전자 흡수 스펙트럼은 용액과 필름 상태에서 비슷하였다. 모든 고분자는 전기화학적으로 활성을 보였으며, 전기 발광 소자를 작동하였을 때 700nm 근처에서 적색을 보였다. $ITO/PPV/P5-PM/BCP/Alq_3/Al$으로 구성된 소자는 $50mA/cm^2$의 낮은 전류 밀도에서 $120cd/m^2$의 밝기를 보였으며, 외부 양자 효율은 $0.67\%$를 나타내었다. 발광 고분자 층에서의 균형있는 전하의 재결합을 유도하여 소자의 발광 효율을 높일 수 있었다. 이중 기능성(bifunctionalized)을 도입함으로써 적색 발광을 내면서 효율이 높은 발광 고분자를 개발하였다.

• Bulletin of the Korean Chemical Society
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• 제8권3호
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• pp.179-183
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• 1987

Reactions of $Rh(ClO_4)(CO)(AsPh_3)_2$ with unsaturated nitriles and aldehyde, L, produce a series of new cationic rhodium (I) complexes, $[RhL(CO)(AsPh_3)_2]ClO_4$ (L = $CH_2$ = CHCN, $CH_2$ = C($CH_3$)CN, trans-$CH_3CH$ = CHCN, $CH_2$ = CH$CH_2$CN, trans-$C_6H_5CH$ = CHCN, and trans-$C_6H_5CH$ = CHCHD) where L are coordinated through the nitrogen and oxygen, respectively but not through the ${\pi}$-system of the olefinic group. Dissociation constants for the reaction, $[RhL(CO)(AsPh_3)_2]ClO_4$ $\rightleftharpoons$ $Rh(ClO_4)(CO)(AsPh_3)_2$ + L, have been measured to be $1.20{\times}10^{-4}$ M (L = $CH_2$ = CHCN), $1.05{\times}10^{-4}$ M (L = $CH_2$ = C($CH_3$)CN, $3.26{\times}10^{-5}$ M (L = trans-$CH_3$CH = CHCN) and $6.45{\times}10^{-5}$ M (L = $CH_2$ = CH$CH_2$CN) in chlorobenzene at $25^{\circ}C, and higher than those of triphenylphosphine complexes, $[RhL(CO)(AsPh_3)_2]ClO_4$ where L are the corresponding nitriles that are coordinated through the nitrogen atom. The differences in dissociation constants seem to be predominantly due to the differences in ${\Delta}H$ (not due to the differences in ${\Delta}S$). The weaker Rh-N (unsaturated nitriles) bonding in $AsPh_3$ complexes than in $PPh_3$ complexes (based on ${\Delta}H$ values) suggests that the unsaturated nitriles in 2∼5 are good ${\sigma}$-donor and poor ${\pi}$-acceptor.

• Bulletin of the Korean Chemical Society
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• 제32권2호
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• pp.417-423
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• 2011

A series of new quinoxaline-based thiophene copolymers (PQx2T, PQx4T, and PQx6T) was synthesized via Yamamoto and Stille coupling reactions. The $M_ws$ of PQx2T, PQx4T, and PQx6T were found to be 20,000, 12,000, and 29,000, with polydispersity indices of 2.0, 1.2, and 1.1, respectively. The UV-visible absorption spectra of the polymers showed two distinct absorption peaks in the ranges 350 - 460 nm and 560 - 600 nm, which arose from the ${\pi}-{\pi}^*$ transition of oligothiophene units and intramolecular charge transfer (ICT) between a quinoxaline acceptor and thiophene donor. The HOMO levels of the polymer ranged from -5.37 to -5.17 eV and the LUMO levels ranged from -3.67 to -3.45 eV. The electrochemical bandgaps of PQx2T, PQx4T, and PQx6T were 1.70, 1.71, and 1.72 eV, respectively, thus yielding low bandgap behavior. PQx2T, PQx4T, and PQx6T had open circuit voltages of 0.58, 0.42, and 0.47 V, and short circuit current densities of 2.9, 5.29 and 9.05 mA/$cm^2$, respectively, when $PC_{71}BM$ was used as an acceptor. For the solar cells with PQx2T-PQx6T:$PC_{71}BM$ (1:3) blends, an increase in performance was observed in going from PQx2T to PQx6T. The power conversion efficiencies of PQx2T, PQx4T, and PQx6T devices were found to be 0.69%, 0.73%, and 1.80% under AM 1.5 G (100 mW/$cm^2$) illumination.