• Journal of Applied Biological Chemistry
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• 제42권3호
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• pp.113-118
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• 1999

The transgenic plant of Citrus species (Citrus aurantium L.) was constructed with a fatty acid desaturase gene using microprojectile bombardment transformation system. The DNA of a fatty acid desaturase gene, fad7, constructed in pBI121 was coated onto tungsten particles ($1.1{\mu}m$) and introduced into callus cells by bombarding with 1100 psi of helium pressure, 1/4 in of gap distance, 7.0 cm of target distance and 27 in Hg of chamber vacuum. The bombarded cells were selected on the medium containing kanamycin. The selected cells were successfully regenerated into plantlets via somatic embryogenesis on the media containing plant growth regulators. The results of polymerase chain reaction analysis of genomic DNAs from the putative transformants showed that the introduced DNAs of fad7 were present in both the selected callus cells and the regenerated plantlets.

• Bulletin of the Korean Chemical Society
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• 제35권4호
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• pp.1005-1010
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• 2014

We have performed DFT calculations to devise some possible fullerene dimers (from $C_{60}$ and $C_{80}$) connected through $C_{24}$ and $C_{36}$ bridge cages with the face-to-face linking model. The fullerene dimers with $C_{36}$ bridges have lower binding energies and greater HOMO-LUMO gaps than those of the fullerene dimers with $C_{24}$ bridges. Also, the replacement of $C_{60}$ cages with $C_{80}$ ones always leads to an increase in binding energies and HOMO-LUMO gaps in these systems. Dimerization of $C_{60}$ and $C_{80}$ fullerenes with $C_{24}$ and $C_{36}$ results in a significant decrease in antiaromaticity of the antiaromatic cages $C_{24}$ and $C_{80}$, and an increase in the aromaticity of the aromatic cages $C_{36}$ and $C_{60}$. Therefore, DFT results indicate that those fullerene dimers involving the initially harshly antiaromatic $C_{24}$ or $C_{80}$ cages are more energetically favorable configuration than the fullerene dimers involving the aromatic $C_{36}$ and $C_{60}$ cages.

• Macromolecular Research
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• 제16권3호
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• pp.224-230
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• 2008

This study examined the photoemission behaviors of isolated chains of poly[2-methoxy, 5-(2'-ethylhexyloxy)-1,4-phenylenevinylene](MEH-PPV) dispersed in various solvents including dichloromethane, chloroform and tetrahydrofuran(THF). A change in polymer-solvent interactions in these solutions caused the MEH-PPV chains to adopt different local conformations, which in turn affected their radiative de-excitation pathways. For the polymer in dichloromethane and chloroform, in which the conjugated chains are relatively extended, photoemission occurs mostly at the long chromophores with lowest HOMO-LUMO energy gap. Their emission spectra showed a main peak at ${\sim}560\;nm$. Dual photoemission of high- and low-energy chromophores was observed when the conjugated chains were forced to partially collapse in a poor solvent THF. Novel high-energy peaks and a typical low-energy peak were detected at ${\sim}414\;nm$ and ${\sim}554\;nm$, respectively. The observation of the high-energy peaks indicates significant suppression of the intrachain energy transfer process, which was attributed to the increase in conformational disorder in the partially collapsed coils. An analysis of the excitation spectra suggests that the high-energy peaks belong to short chromophores constituting of one or two repeat units. This study systematically investigated the effects of polymer concentration, temperature and single bond defects along the backbone on the photoemission of the high-energy chromophores.

• Bulletin of the Korean Chemical Society
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• 제15권3호
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• pp.221-227
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• 1994

The barrier heights of the internal rotations for ethyl halides calculated by ab initio methods differ from those of experiments by more than 0.2 kcal/mol. The use of basis sets larger than the $6-31G^{\ast}$ set and the inclusion of correlation do not improve the agreement between the calculated and experimental values. The zero-point vibration corrections are substantial in the HF calculations with $6-31G^{\ast}$ basis sets, but become negligible in the MP2 calculations with $6-311G^{{\ast}{\ast}}$ basis sets for $C_2H_5F\;and\;C_2H_5Cl$. It is shown that the rigid rotor approximation and the assumed shape of the potential curve as a cos2${\theta}$ curve could also be the sources of discrepancies between calculated and experimental values. Higher order perturbation corrections narrow the gap between experimental and theoretical values, but there still remains about 10% overestimate of 0.3 kcal/mol. Optimized geometries from the HF and MP2 calculations are in good agreement with those from experiments. Dipole moments calculated from the MP2 densities show slightly better agreement with experiments than those from the HF densities.

• 공업화학전망
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• 제20권2호
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• pp.13-24
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• 2017

태양전지는 온실 가스 감축에 효과가 큰 기후 변화 대응 기술이다. 현재 상업화에 성공한 실리콘 태양전지의 뒤를 이어 박막 태양전지, 페로브스카이트 태양전지 등 차세대 태양전지가 가격과 효율 등을 극복하기 위하여 매우 많이 연구되고 있다. CZT(S,Se) 박막 태양전지는 차세대 태양전지의 유력 후보군인 CIGS, CdTe, 페로브스카이트 태양전지 등에 비해 범용 무독성 원소를 광흡수층으로 사용한다는 장점을 가지고 있지만 아직까지는 이들보다 효율이 낮아 상용화하기에는 많은 문제를 가지고 있다. CZT(S,Se) 박막태양전지의 기본적인 물성, 공정 등을 알아보고 고효율을 달성하는 방법에 대하여 알아보고자 한다.

• Bulletin of the Korean Chemical Society
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• 제26권12호
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• pp.1981-1985
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• 2005

Kinetic studies have been performed for alkaline hydrolysis of a series of [(methoxy)(p-substituted styryl)carbene]pentacarbonyl chromium(0) complexes ($(CO)_5$Cr=$C(OCH_3)CH=CHC_6H_4X$, X = p-$OCH_3$, p-$CH_3$, H, p-Cl, p-$NO_2$). Second-order rate constants $(k_{{OH}^-})$ for the alkaline hydrolysis in 50% acetonitrile-water(v/v) were determined spectrophotometrically at various temperatures. At a low pH region (pH < 7.5), the observed rate constant $(k_{obs})$ remained constant with a small value, while in a high pH region (pH > 9.5), $k_{obs}$ increases linearly with increasing the pH of the medium. The second-order rate constants $(k_{{OH}^-})$ increase as the substituent X changes from a strong electron donating group to a strong electron withdrawing group. The Hammett plot obtained for the alkaline hydrolysis is consisted of two intersecting straight lines. The nonlinear Hammett plot might be interpreted as a change in the rate-determining step. However, the fact that the corresponding Yukawa-Tsuno plot is linear with $\rho$ and r values of 0.71 and 1.14, respectively indicates that the nonlinear Hammett plot is not due to a change in the rate-determing step but is due to ground-state stabilization through resonance interaction. The positive $\rho$ value suggests that nucleophilic attack by $OH^-$ to form a tetrahedral addition intermediate is the rate-determining step. The large negative ${\Delta}S^\neq$ value determined in the present system is consistent with the proposed mechanism.

• Bulletin of the Korean Chemical Society
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• 제35권10호
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• pp.3052-3058
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• 2014

In this article, we have designed and synthesized a novel donor-${\pi}$-acceptor (D-${\pi}$-A) type porphyrin-based sensitizer (denoted UI-5), in which a carboxyl anchoring group and a 9,9-dimethyl fluorene were introduced at the meso-positions of porphyrin ring via phenylethynyl and ethynyl bridging units, respectively. Long alkoxy chains in ortho-positions of the phenyls were supposed to reduce the degree of dye aggregation, which tends to affect electron injection yield in a photovoltaic cell. The cyclic voltammetry was employed to determine the band gap of UI-5 to be 1.41 eV based on the HOMO and LUMO energy levels, which were estimated by the onset oxidation and reduction potentials. The incident monochromatic photon-to-current conversion efficiency of the UI-5 DSSC assembled with double-layer (20 nm-sized $TiO_2$/400 nm-sized $TiO_2$) film electrodes appeared lower upon overall ranges of the excitation wavelengths, but exhibited a higher value over the NIR ranges (${\lambda}$ = 650-700 nm) compared to the common reference sensitizer N719. The UI-5-sensitized cell yielded a relatively poor device performance with an overall conversion efficiency of 0.74% with a short circuit photocurrent density of $3.05mA/cm^2$, an open circuit voltage of 0.54 mV and a fill factor of 0.44 under the standard global air mass (AM 1.5) solar conditions. However, our report about the synthesis and the photovoltaic characteristics of a porphyrin-based sensitizer in a D-${\pi}$-A structure demonstrated a significant complex relationship between the sensitizer structure and the cell performance.

• 한국응용과학기술학회지
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• 제33권1호
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• pp.23-29
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• 2016

육방정계 우르자이츠형의 산화아연은 n형 반도체로써 3.37 eV의 넓은 밴드갭 에너지와 60 meV의 큰 엑시톤 바인딩 에너지를 가진 물질이다. 가스센서, 발광 다이오드, 염료 감응 태양 전지, 염료오염의 분해 등의 넓은 범위에서 활용이 가능하다. 합성 시 마이크로파 수열합성법을 사용하게 되면 높은 수율, 빠른 반응속도, 에너지 절약의 장점이 있다. 아민첨가제는 수산이온 생성 및 킬레이트 효과로 인해 산화아연 입자 형상을 조정하는 역할을 한다. 본 논문에서는 전구체로는 질산아연육수화물을 사용하였고, 형상조정제로는 에탄올아민, 에틸렌디아민, 디에틸렌트리아민, 헥사메틸렌테트라민을 사용하였다. 수산화소듐을 사용하여 용액을 pH 11로 조정하였다. 합성된 산화아연은 별모양, 막대형, 꽃모양, 원추형의 다양한 형상을 확인할 수 있었다. 아민첨가제에 의한 물리 화학적 특성과 광학적 특성을 분석하기 위해 XRD, SEM, EDS, FT-IR, UV-vis 스펙트럼, PL 스펙트럼을 사용하였다.

• Bulletin of the Korean Chemical Society
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• 제31권10호
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• pp.2849-2853
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• 2010

A method to improve the photocatalytic activity of titanium dioxide by modification with a sensitizer and a metal oxide is proposed. To achieve this goal, we used metal oxides as dopants. In particular, $CaWO_4$ and $Gd_2O_2S$:Tb were used because their 2.6 eV and 2.2 eV band gap energy and optical properties have a large positive effect on photocatalysis. The improvement in the photocatalytic activity of $TiO_2$ modified with $Gd_2O_2S$:Tb under ultraviolet light irradiation is described in a previous study. The present work focuses on the sensitization of metal oxide-modified $TiO_2$. Having observed the ultraviolet-visible absorption spectra of 3,4,9,10-Perylenetetracarboxylic diimide in the wide visible-light region from 400 nm to 650 nm and the broad peaks in its photoluminescence spectra at 695 nm and 717 nm, we decided to use this perylene dye to sensitize modified $TiO_2$ to enhance its activity as a visible-light harvesting photocatalyst. We also explored the positive effects thin-film surface changes stemming from ultraviolet pre-treatment have on photocatalytic activity. Finally, we subjected several metal oxide-modified $TiO_2$ products sensitized by the perylene dye to ultraviolet pre-treatment, obtaining the most active photocatalysts.

• Bulletin of the Korean Chemical Society
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• 제30권2호
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• pp.445-448
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• 2009

This study examined the effect of the uptake of one and two electrons on the atomic structure of three isomers of $C_{20}$ clusters, namely the ring, bowl (corannulene like), and cage (the smallest fullerene). Geometry optimizations were performed using the hybrid density functional (B3LYP) methods for neutral, singly and doubly charged $C_{20},\;{C_{20}}^-,and\;{C_{20}}^{2-}$. These results show that the symmetry of the lowest energies for ring and bowl isomers were not changed, whereas the increasing order of energy for the cage (the smallest fullerene) isomers was changed from $D_{2h}\;<\;C_{2h}\;{\leq}\;C_2\;of\;C_{20}\;through\;Ci\;<\;C_{2h}\;<\;C_2\;<\;D_{2h}\;of\;{C_{20}}^-\;to\;Ci\;<\;C_2\;<\;D_{2h}\;<\;C_{2h}\;of\;{C_{20}}^{2-}$. The reduced symmetry isomers of the cage have comparative energy and the ground state symmetry of the neutral and single and double charged $C_{20}$ decreased with increasing number of electrons taken up in the point of energetics. Interestingly, the difference in energy between the ground state and the next higher energy state of ${C_{20}}^{2-}$ was 3.5kcal/mol, which is the largest energy gap of the neutral, single anion and double anion of the cage isomers examined.