• Bulletin of the Korean Chemical Society
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• 제34권5호
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• pp.1355-1360
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• 2013

We have developed a new multifunctional material, 4,4',4"-tris(4-naphthalen-2-yl-phenyl)amine (2-TNPA), which can be used as a blue-emitting and hole-transporting material in organic light-emitting diodes (OLEDs), as well as a donor material in organic solar cells (OSCs) and an active material in organic thin-film transistors (OTFTs). The OLED device doped with 3% 2-TNPA shows a maximum current efficiency of 3.0 $cdA^{-1}$ and an external quantum efficiency of 3.0%. 2-TNPA is a more efficient hole-transporting material than 4,4'-bis[N-(naphthyl-N-phenylamino)]biphenyl (NPD). Furthermore, 2-TNPA shows a power-conversion efficiency of 0.39% in OSC and a field-effect mobility of $3.2{\times}10^{-4}cm^2V^{-1}s^{-1}$ in OTFTs.

• 대한화학회지
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• 제63권1호
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• pp.29-36
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• 2019

A potentially tetradentate Schiff base ligand, 2-((2-((pyridin-2-ylmethylene)amino)ethyl)amino)ethan-1-ol (PMAE), and its cadmium(II) complex, [$Cd(PMAE)I_2$] (1), were prepared and characterized by elemental analysis, FT-IR, Raman, $^1H$ and $^{13}C$ NMR spectroscopies and single-crystal X-ray diffraction. In the crystal structure of 1, the cadmium atom has a slightly distorted square-pyramidal geometry and a $CdN_3I_2$ environment in which the PMAE acts as an $N_3$-donor. In the crystal packing of the complex, the alcohol and amine groups of the coordinated ligands participate in hydrogen bonding with iodide ions and form $R^2{_2}(14)$ and $R^2{_2}(8)$ hydrogen bond motifs, respectively. In addition to the hydrogen bonds, the crystal network is stabilized by ${\pi}-{\pi}$ stacking interactions between pyridine rings. The thermodynamic stability of the isolated ligand and its cadmium complex along with their charge distribution patterns were studied by DFT and NBO analysis.

• Bulletin of the Korean Chemical Society
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• 제30권9호
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• pp.2077-2082
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• 2009

The conformational and electronic properties of 2-cyano-3-(thiophen-2-yl)acrylic acid (TCA) in analogues used as sensitizers in dye-sensitized solar cells was examined using density functional theory (DFT) and natural bond orbital analysis methods. A relaxed potential energy surface scan was performed on NKX-2677 by rotating the C-C bond between the thiophene and cyanoacrylic acid which yielded activation energy barriers of about 13 kcal/mol for both E and Z configurations. The most stable conformation of all the analogues was E-180 except for NKX-2587 which has an electrostatic repulsion between the oxygen of the coumarin and the nitrogen of the cyanoacrylic acid. The increase in the electron delocalization between the thiophene and cyanoacrylic acid influences the stability for most of the analogues. But for NKX-2600, even though there was a greater deviation from the planarity of TCA, the stability was mainly due to the presence of a weak hydrogen bond between the hydrogen of the methyl group of the amine located in the donor moiety and the nitrogen of the cyanoacrylic acid. The vertical excitation energies of the analogues containing TCA were calculated by time-dependent DFT method. There were slight differences in its vertical excitation energies but the oscillator strengths vary significantly especially in the case of NKX-2600.

• 생명과학회지
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• 제20권1호
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• pp.97-102
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• 2010

식품단백질의 물성과 기능성을 개선시켜 산업적인 가치가 매우 높은 TGase를 생산하는 S. platensis YK-2의 분자 유전학적인 연구를 위해 형질전환방법을 확립하였으며 본 연구를 위해 도입된 방법은 대장균을 plasmid DNA의 공여체로, S. platensis의 포자를 수용체로 사용하는 접합전달법이다. S. platensis를 위한 최적 접합전달조건은 50 mM의 $MgCl_2$를 첨가한 MS배지에 열처리를 하지 않은 포자와 $5{\times}10^7$의 plasmid DNA 공여체인 E. coli를 사용하는 것이다. 또 본 연구를 통해 얻어진 접합전달체의 attB site에 대한 분석을 통해 S. platensis chromosome의 pirin 상동체를 코드하는 ORF내에 attB site가 단일위치로 존재하고 있으며 이미 밝혀진 다른 방선균유래 attB site의 염기서열에 대해 77.8%~96.3%의 상동성을 나타냈다.