• Bulletin of the Korean Chemical Society
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• v.24 no.8
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• pp.1126-1134
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• 2003

The signals obtained from the $5^{th}$-order (two-dimensional) Raman spectrum of a liquid can depend dramatically on the polarizations of the various light beams, but to date there has been no evidence presented that different polarization conditions probe any fundamentally different aspects of liquid dynamics. In order to explore the molecular significance of polarization we have carried out a molecular dynamics simulation of the $5^{th}$-order spectrum of a dilute solution of CS₂ in liquid Xe, perhaps the simplest system capable of displaying a full range of polarization dependencies. By focusing on the 5 distinct rotational invariants revealed by the different polarizations and by comparing our results with those from liquid Xe, a liquid whose spectrum has no significant polarization dependence, we discovered that the polarization experiments do, in fact, yield valuable microscopic information. With different linear combinations of the experimental response functions one can separate the part of the signal derived from the purely interaction-induced part of the many-body polarizability from the portion with the largest contributions from single-molecule polarizabilities. This division does not directly address the underlying liquid dynamics, but it significantly simplifies the interpretation of the theoretical calculations which do address this issue. We find that the different linear combinations differ as well in whether they exhibit nodal lines. Despite the absence of nodes with the atomic liquid Xe, observing the resilience of our solution's nodes when we artificially remove the anisotropy of our solute leads us to conclude that there is no direct connection between nodes and specifically molecular degrees of freedom.

• Korean Journal of Materials Research
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• v.19 no.10
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• pp.544-549
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• 2009

Activated carbon (AC) with very large surface area has high capacitance per weight. However, such activation methods tend to suffer from low yields, below 50%, and are low in electrode density and capacitance per volume. Carbon NanoFibers (CNFs) had high surface area polarizability, high electrical conductivity and chemical stability, as well as extremely high mechanical strength and modulus, which make them an important material for electrochemical capacitors. The electrochemical properties of immobilized CNF electrodes were studied for use as in electrical double layer capacitor (EDLC) applications. Immobilized CNFs on Ni foam grown by thermal chemical vapor deposition (CVD) were successfully fabricated. CNFs had a uniform diameter range from 50 to 60 nm. Surface area was 56 m$^2$/g. CNF electrodes were compared with AC and multi wall carbon nanotube (MWNT) electrodes. The electrochemical performance of the various electrodes was examined with aqueous electrolyte of 2M KOH. Equivalent series resistance (ESR) of the CNF electrodes was lower than that of AC and MWNT electrodes. The specific capacitance of 47.5 F/g of the CNF electrodes was achieved with discharge current density of 1 mA/cm$^2$.

• Bulletin of the Korean Chemical Society
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• v.32 no.4
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• pp.1153-1157
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• 2011

A kinetic study is reported for aminolysis of S-4-nitrophenyl X-substituted thiobenzoates 3a-g in 80 mol % $H_2O$/20 mol % DMSO at $25.0{\pm}0.1^{\circ}C$. Thiol esters 3a-g are 7.8-47.6 fold more reactive than the corresponding oxygen esters (i.e., 4-nitrophenyl X-substituted benzoates 1a-g). Such reactivity order appears to be in accordance with the expectation that 4-nitrothiophenoxide in 3a-g is a better nucleofuge than 4-nitrophenoxide in 1a-g since the former is 2.64 pKa units less basic than the latter. Hammett plot for the reactions of 3a-g exhibit poor correlation coefficients ($R^2$ = 0.977-0.986) with negative deviation by substrates possessing an electrondonating group (EDG), while the Yukawa-Tsuno plots result in excellent linear correlation ($R^2$ = 0.995-0.997) with ${\rho}$ = 0.93-1.23 and r = 0.57-0.67, indicating that the negative deviation shown by substrates possessing an EDG is caused by ground-state stabilization through resonance interactions but not due to a change in ratedetermining step upon changing the nonleaving-group substituent X. The ${\rho}$ value increases as the incoming amine becomes more basic and more reactive, indicating that the RSP is not operative in the current reactions.

• Bulletin of the Korean Chemical Society
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• v.32 no.4
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• pp.1165-1169
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• 2011

Second-order rate constants ($k_N$) have been measured spectrophotometrically for nucleophilic substitution reactions of 2,4-dinitrophenyl phenyl thionocarbonate 4 with a series of Z-substituted pyridines in 80 mol % $H_2O$/20 mol % DMSO at $25.0{\pm}0.1^{\circ}C$. The Br${\o}$nsted-type plot for the reactions of 4 exhibits downward curvature (i.e., ${\beta}_1$ = 0.21 and ${\beta}_2$ = 1.04), indicating that the reactions proceed through a stepwise mechanism with a change in rate-determining step. It has been found that 4 is less reactive than its oxygen analogue, 2,4-dinitrophenyl phenyl carbonate 3, although the thionocarbonate is expected to be more electrophilic than its oxygen analogue. The $pK_a$ at the center of the Br${\o}$nsted curvature, defined as $pK_a^o$, has been analyzed to be 6.6 for the reactions of 4 and 8.5 for those of 3. Dissection of $k_N$ into the microscopic rate constants $k_1$ and $k_2/k_{-1}$ ratio has revealed that the reactions of 4 result in smaller $k_1$ values but larger $k_2/k_{-1}$ ratios than the corresponding reactions of 3. The larger $k_2/k_{-1}$ ratios have been concluded to be responsible for the smaller $pK_a^o$ found for the reactions of 4.

• Korean Journal of Materials Research
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• v.20 no.7
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• pp.370-373
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• 2010

In fabricating plasma display panels, the photolithographic process is used to form patterns of barrier ribs with high accuracy and high aspect ratio. It is important in the photolithographic process to control the refractive index of the photosensitive paste. The composition of this paste for photolithography is based on the $B_2O_3-SiO_2-Al_2O_3$ glass system, including additives of alkali oxides and rare earth oxides. In this work, we investigated the density, structure and refractive index of glasses based on the $B_2O_3-SiO_2-Al_2O_3$ system with the addition of $Li_2O$, $K_2O$, $Na_2O$, CaO, SrO, and MgO. The refractive index of the glasses containing K2O, Na2O and CaO was similar to that of the [BO3] fraction while that of the SrO, MgO and Li2O containing glasses were not correlated with the coordination fraction. The coordination number of the boron atoms was measured by MAS NMR. The refractive index increased with a decrease of molar volume due to the increase in the number of non-bridging oxygen atoms and the polarizability. The lowest refractive index (1.485) in this study was that of the $B_2O_3-SiO_2-Al_2O_3-K_2O$ glass system due to the larger ionic radius of $K^+$. Based on our results, it has been determined that the refractive index of the $B_2O_3-SiO_2-Al_2O_3$ system should be controlled by the addition of alkali oxides and alkali earth oxides for proper formation of the photosensitive paste.

• Journal of the Korean Chemical Society
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• v.30 no.3
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• pp.265-272
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• 1986

Kinetic studies for the methanolysis of tert-butyl halides (t-BuCl, t-BuBr, t-BuI) were carried out in MeOH-1,1,2,2-tetrachloroethane mixtures. The solvatochromic comparison method was used with six indicators to analyze solvent effects on the ionizations of tert-butyl halides. It was shown that the cooperative effect of solvent polarity-polarizability was the most important factor influenced on the methanolysis rates of tert-butyl halides, but the electrophilic assistance for halide leaving group and the nucleophilic assistance for tert-butylium ion were considerably influential, too. And it was found that the electrophilic assistance caused by hydrogen bonding and the nucleophilic assistance for carbon center were stronger for more basic leaving group ($I^-) and more polarizable leaving group(t-BuCl

• Journal of the Korean Ceramic Society
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• v.33 no.5
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• pp.507-513
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• 1996

Nonlinear optical properties of TeO2-PbO-GeO2 glasses were investigated and their correlation with struc-tural modification was investigated. Third-order nonlinear susceptibility $\chi$, ranged between 5.0$\times$10-13 esu and 10.7$\times$10-13 esu which are approximately 20-40 times larger than that of silica glass. The glass with a composition of 85(80TeO2-20PbO)-15GeO2(mol%) seemed to provide an optimum compromise between $\chi$and the stability against crystallization. Analyses of the Raman spectra suggested that these glasses are mainly composed of [TeO4] tbp, [TeO3]tp and [GeO4] tetrahedral structural units. It was concluded that the positive contribution of Pb2+ with high polarizability to $\chi$ in TeO2-PbO glasses overwhelmed the negative influence due to the structural modification of [TeO4]tbplongrightarrow[TeO3]tp. On the other hand addition of GeO2 in TeO2-PbO-GeO2 glasses resulted in the decrease of $\chi$ values. This behavior was attributed to the formation of [GeO4] polyhedra at the expense of [TeOn] polyhedra and Pb2+ ions which normally sowed a higher contribu-tion to $\chi$ than [GeO4] polyhedra.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2008.11a
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• pp.321-321
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• 2008

To obtaingood resolution in PDP, one of the important factors is to achieve the accuracy of barrier ribs. The photolithographic process can be used to form patterns of barrier rib with high accuracy and a high aspect ratio. The composition for photolithography is based on the $B_2O_3-SiO_2-Al_2O_3$ glass system including additives such as alkali oxides and alkali earth oxides. The refractive index and thermal properties in glass system are changed by amount of alkali oxides and alkali earth oxides. Therefore, it is important that additives are controlled to have proper refractive index and thermal properties. The additives are contributed to non-bridging oxygen within the glass network, causing a change of density. In addition to a change of the structural cross-link density, the refractive index, dielectric and thermal properties glass are correlated with ionic radius and polarizability of cations. In this study, we investigated the refractive index and the thermal properties such as glass transition temperature, glass softening temperature and coefficient of thermal expansion by changing composition in the $B_2O_3-SiO_2-Al_2O_3$ glass system.

• Journal of the Korean Chemical Society
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• v.34 no.4
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• pp.377-383
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• 1990

Three kinds of hydrogel membranes were prepared by the copolymerization of 2-hydroxyethylmethacrylate (HEMA) with acrylamide, N, N-dimethylamide and methylmethacrylate in the presence of solvent and crosslinker respectively. The equilibrium water content, relative permeability and partition coefficient of the membranes for alcohol solutes were measured. It has been found that the permeation of organic solute occurs through the water-filled regions in the hydrogel membrane, and that the gpermeability coefficient of organic solute depends on the molecular size. But the permeability of organic solute was controlled by the interaction of solute-membrane at the low water content. By the partition data, it has been shown that the partition of solute is only controlled by hydrophobic interaction between solute and membrane. The diffusion coefficient data were interpreted on the basis of water-solute interaction. It has been found that the diffusion of organic solute is determined by the free volume of water in the membrane, and that hardly depends on polarity-polarizability and hydrogen bonding ability between water and solute.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.22 no.3
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• pp.262-268
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• 2009

We investigated the properties of inorganic diatomic films like silicon oxide ($SiO_2$) and zinc oxide (ZnO) and their composite films are packed as a passivation layer around Ca cells on glass substrates by using an electron-beam evaporation technique and rf-magnetron sputtering method. When these Ca cells are exposed to an ambient atmosphere, the water vapor penetrating through the passivation layers is adsorbed in the Ca cells, resulting in a gradual progress of transparency in the Ca cells, which can be represented by changes of the optical transmittance in the visible range. Compared with the saturation times for the Ca cells to become completely transparent in the atmosphere, the protection effects against permeation of water vapor are estimated for various passivation films. The thin composite films consist of$SiO_2$ and ZnO are found to show a superior protection effect from water vapor permeation compared with diatomic inorganic films like $SiO_2$ and ZnO. Also, this inorganic thin composite films are also found that their protection effect against permeation of water vapor can be significantly enhanced by choosing their suitable composition ratio and deposition method, in addition, the main factors affecting the permeation of water vapor through the oxide films are found to be the polarizability and the packing density.