• Coupled systems mechanics
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• 제6권1호
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• pp.75-96
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• 2017

As electron donor/acceptor materials for organic photovoltaic cells, small-molecules donors/acceptor are attracting more and more attention. In this work, we investigated the electronic structures, electrochemical properties, and charge carrier transport properties of four recently-synthesized small-molecule donors/acceptor, namely, DPDCPB (A), DPDCTB (B), DTDCPB (A1), and DTDCTB (B1), by a series of ab initio calculations. The calculations look into the electronic structure of singly oxidized and reduced molecules, the first anodic and cathodic potentials, and the electrochemical gaps. Results of our calculations were in accord with those from experiments. Using Marcus theory, we also computed the reorganization energies of hole/electron hoppings, as well as hole/electron transfer integrals of multiple possible molecular dimer configurations. Our calculations indicated that the electron/hole transport properties are very sensitive to the relative separations/orientations between neighboring molecules. Due to high reorganization energies for electron hopping, the hole mobilities in the molecular crystals are at least an order of magnitude higher than the electron mobilities.

• Bulletin of the Korean Chemical Society
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• 제26권11호
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• pp.1706-1710
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• 2005

The excited-state intramolecular proton transfer (ESIPT) fluorescence in the 2-(2'-hydroxyphenyl)benzoxazole (HBO) derivatives with different electron donor and acceptor substituents was studied by spectroscopic and theoretical methods. Changes in the electronic transition, energy levels, and orbital diagrams of HBO analogues were investigated by the semi-empirical molecular orbital calculation and were correlated with the experimental spectral position of ESIPT keto emission. It was found that the presence of substituents, regardless of their nature, resulted in the red-shifted absorption relative to HBO. However, the spectral change of the ESIPT fluorescence was differently affected by the nature of substituent: hypsochromic shift with electron donor and bathochromic shift with electron acceptor.

• Bulletin of the Korean Chemical Society
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• 제27권3호
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• pp.399-402
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• 2006

Porous organic-inorganic hybrids have been prepared from tetraethylorthosilicate (TEOS) and organosilane precursors by sol-gel method. Two organosilanes, 3-(2,4-dinitrophenylamino)propyltriethoxysilane (DNPTES) and N-[[(2-nitrophenyl)methoxy]carbonyl]-3-triethoxysilylpropylamine (NPTES) were used to incorporate electron-accepting (di)nitrophenyl groups into the hybrids. The hybrids were characterized by FT-IR spectroscopy and elemental analysis, and their pore characteristics were studied by nitrogen sorption porosimetry. Surface area of the hybrids ranged from 563 to 770 $m^2$/g, pore volume, 0.23-0.30 $cm^3$/g, and porosity, 35-41%. It was demonstrated by UV-vis spectroscopy that aniline, ethylenediamine, and 1-aminonaphthalene could be removed from their hexane solutions in the presence of the hybrid powders. The removal of amines is attributable to donor-acceptor interaction between the electron-donating amines and electron-accepting (di)nitrophenyl moiety.

• Bulletin of the Korean Chemical Society
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• 제24권10호
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• pp.1490-1494
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• 2003

Noncovalently linked electron donor-acceptor dyad consisting of zinc tetratolylporphyrin and pyridine appended ruthenium trisbipyridine comlex was prepared, via axial coordination of pyridine moiety in ruthenium trisbipyridine complex on zinc tetratolylporphyrin. For the purpose of comparison, axial coordination of pyridine-appended 2,2'-bipyridine on zinc tetratolylporphyrin was also investigated. The Kvalues were detemined based on absorption of fluorescence studies. The fluorescence of zinc teratolylporphrin was efficiently quenched upon axial coordination of pyridine moiety, prbably due to the photoinduced electron transfer from zinc tetrtolylporphyrin to ruthenium trisbipyridine, supported by free enegy estimation.

• 생명과학회지
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• 제15권2호
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• pp.311-315
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• 2005

Pparaquat의 전자수용 및 방출에 대한 작용을 검토한 결과는 다음과 같다. Rat mitocondria분산액에 paraquat를 첨가하였을 때 반응액이 청색으로 변색되었으며 Aluminium 박 또는 동전극을 장치한 photo cell중에서 paraquat에 전류를 통한 경우에도 음극에서부터 청색으로 변색되기 시작하여 660 nm에서 높은 홉광도를 나타내었다. 이 착색반응은 반응액에 산소를 첨가함으로서 탈색되었다. Paraquat에 $H^+$을 첨가하고 전류를 통한 결과 340 nm에서의 홉광도가 증가되었으며 경시적인 흡광도 증가의 모양은 $NAD^+$에 전류를 통한 경우와 거의 일치하였다. 이상의 결과로부터 paraquat가 전자를 수용 또는 방출할 수 있음이 확인되었고 이러한 paraquat의 작용이 생체내에 이화작용에서 생성되는 전자를 포획하고 산소에 직접 넘겨줌으로써 cytochrome 호흡쇄로의 단계별 전자전달계가 차단되어 급성독성을 일으키는 요인으로 추정된다.

• Journal of Microbiology
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• 제39권4호
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• pp.273-278
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• 2001

Shewanela, putrefaciene IR-1 and MR-1 were cultivated by using various combinations electron donor-acceptor, lactate-Fe(III) lactate-nitrate, pyruvate-FE(III), pyruvate-nitrate H$_2$ acetate-Fe(III) and H$_2$-acetate-nitrate. Both strains grew fermentatively on pyruvate and lactate but not on without and electron acceptor. In culture with Fe(III), both astrains grew on pyruvate and lactate but on H$_2$-acetate- CO$_2$. In cultivation with nitrate, both stains grew on pyruvate lactage and on H$_2$-acetate-CO$_2$ The growth yields of IR-1 pyruvate, pyruvate-Fe(III) and lactate-Fe(III) were about 3.4, 3.5, and 3.6(g cell/M substrate), respectively. From the growth properties of both strains on media with Fe(III) as an electron acceptor, the bacterial growth was confirmed not to be increased by addition of Fee(III) as an electron acceptor to the growth medium, which indicates a possibility that the dissimilatory reduction of Fe(III) to Fe(III) may not be coupled to free energy production.

• 한국전기전자재료학회논문지
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• 제35권4호
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• pp.359-365
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• 2022

The development of efficient electron donor (or hole-transporting) molecules that can be used in various optoelectronic device fields is highly demanded. In this work, a novel class of triptycene-based three-dimensional (3D) triphenylamine (TI-TPA) derivatives with different end substituents was designed and prepared for transparent electron donor materials. Owing to the rigid 3D triptycene framework, the obtained TI-TPA derivatives had an amorphous morphology with high thermal decomposition temperature. The oxidation potential of these TI-TPA derivatives decreased as the electron donating strength of the end substituent increased. Among TI-TPA derivatives, TI-TPA-OMe exhibited the highest HOMO level (-5.31 eV) which is similar to that of Spiro-OMeTAD (-5.22 eV). In addition, TI-TPA-OMe was found to form a strong charge transfer complex with the triptycene-based acceptor TI-BQ, leading to a new absorption band at around 640 nm. These results can be applied for developing efficient electron donor materials that can mimic the advantages of the spiro-linked structure and TPA units of Spiro-OMeTAD.

• Bulletin of the Korean Chemical Society
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• 제19권12호
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• pp.1337-1341
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• 1998

The charge transfer (CT) complex dyes between electron donor phenothiazine and electron acceptors namely, 2, 3-dichloro-1,4-naphtoquinone and 2,3-dichloro-5-nitro-1,4-naphtoquinone, were formed in the dichloromethane solution and electrochromic properties were studied using Bu4NC1O4 as supporting electrolyte. A 1 : 1 correspondence between the donor and acceptor molecules in the CT complex was found.

• 대한화학회지
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• 제60권5호
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• pp.374-377
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• 2016

• Bulletin of the Korean Chemical Society
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• 제22권3호
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• pp.257-258
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• 2001