• Journal of the Korean Chemical Society
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• v.50 no.3
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• pp.203-207
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• 2006

Ab initio calculations of the structure and the binding energies of K+(C2H5OH)n, (n=1~5) complexes were carried out with MP2/ full gen 6d and MP2/ 6-311G** methods. The stable structures of the complexes with n=2 to 5 were linear, trigonal, tetrahedral and trigonal bipyramid respectively. The binding energies of complexes were increased with the number of ligands, but the incremental binding energies were decreased. These results agreed well with the results of K+ complexes with other solvents.

• Journal of the Korean Chemical Society
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• v.34 no.3
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• pp.227-231
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• 1990

Kinetic studies on the nucleophilic reactions of p-substituted benzylnitrates with substituted anilines have been conductometically carried out in 50-100% $CH_3CN-CH_3OH$ mixtures. From the kinetic data, Hammett ${\rho}_C$ and ${\rho}_N$ values, Bronsted $\beta$ values, and solvatochromic coefficients were determined in order to examine the transition state variations caused by changes in substituents and solvent properties. It is concluded that the reaction proceeds via a synchronous $S_N2$ mechanism in which bond formation is more advanced than bond cleavage.

• Proceedings of the Korean Radioactive Waste Society Conference
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• 2004.06a
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• pp.97-104
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• 2004

Double-layered polysulfone composite films, containing cerium activated yttrium silicate (CAYS) as a flour, were prepared from double casting of two polymeric solutions, and their morphology and physical strength were superior to those of single-layered composites. The prepared polymeric films consist of a dense bottom layer and a CAYS-holding top layer. The former is made of coagulating the polysulfone and methylene chloride binary solution and works as a supporter to improve the composite's physical strength, while the latter holding the inorganic fluor plays a role as an active site to detect the radioactive contamination. The prepared films revealed two distinguished, but tightly attached, double layers, their attachment being identified by morphology of the interface between two layers. As prepared by water immersion coagulation, the films have highly developed macropores, compared with a dense structure in the film prepared by evaporation. In the radionuclide detection test of the CAYS-impregnated composites, the films have reliable detection capacity at a radionuclide spotting test. The double-layered composites with the dense support layer show a better stability in holding the radionuclides spotted on the surface as well as an improvement in physical strength, compared with the single-layer composites having shortcomings such as being too porous or being brittle.

• Korean Chemical Engineering Research
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• v.51 no.6
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• pp.716-726
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• 2013

Enzymatic acylations catalyzed by hydrolytic enzymes, along with enzymatic hydrolysis, are established reactions in the synthesis of fine chemicals such as chiral intermediates and polymerizations in the industry. Those reactions have been carried out mostly in organic media due to the thermodynamic limitations. Recently, there have been reports on enzymatic acylations in aqueous media. They have dealt with the elucidation of reaction mechanisms of hydrolases and acyl transferases based on their X-ray structures, homology comparison of the two kinds of enzymes, substrate engineering of acyl donors and computational design of acyl transferases for enzymatic acylations in aqueous media. Enzymatic acylations play an important role in the combinatorial synthesis of natural products such as polyketides and nonribosomal peptides. In this review, the historic developments of enzymatic acylations and industrial examples are described briefly. In addition, recent developments of enzymatic acylations in the modification of natural products and their prospects will be discussed.

• Korean Chemical Engineering Research
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• v.48 no.4
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• pp.423-427
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• 2010

Carbon nano sphere(CNS) and nano bowl of carbon(NBC) containing 1.0 wt% copper were prepared by impregnation method and their catalytic activity was compared in the phenol hydroxylation with hydrogen peroxide in the presence of water and acetonitrile as a solvent, respectively. Cu content of catalysts was determined by EDS, and BET, pore volume, pore size and pore size distribution were compared. For both catalysts, phenol conversion, $H_2O_2$ efficiency and yield of catechol and hydroquinone were higher in the presence of water as a solvent than those in the presence of actonitrile. And catalytic activity such as phenol conversion and $H_2O_2$ efficiency of 1.0 Cu/CNS is about two times higher than that of 1.0 Cu/NBC in water solvent.

• Applied Chemistry for Engineering
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• v.16 no.5
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• pp.595-602
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• 2005

Ionic liquids (ILs) are the ionic salts pertaining to liquid-state at lower temperature than $100^{\circ}C$. ILs have attracted attention as new media because of their peculiar chemical, physical or electrical properties such as low volatility, nonflammability, liquid-phase stability at high temperature, high ability in solvating organic, inorganic or polymeric materials, and high ionic conductivity. Since the properties can be modified by assembling the pair using various anions and cations, ILs are often called designer solvents. In addition, ILs have been expected as new green media to replace the volatile organic solvents, which have been widely used in chemical, energy, material, and electronic industries, as well as to enhance the reaction activity and selectivity. In this review paper, the structures, properties, applications, and technology trend of ILS are introduced.

• Applied Chemistry for Engineering
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• v.26 no.3
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• pp.372-376
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• 2015

6-MQCC (Cr(VI)-6-methylquinoline) complex was synthesized by the reaction of 6-methylquinoline with chromium(VI) trioxide in 6 M HCl. The structure was characterized using IR (Infrared Spectroscopy) and ICP (Inductively Coupled Plasma) analysis. The oxidation of benzyl alcohol using 6-MQCC in various solvents showed that the reactivity increased with the increase of the dielectric constant, in descending order of DMF > acetone > chloroform > cyclohexene. In the presence of DMF solvent with acidic catalyst such as sulfuric acid ($H_2SO_4$), 6-MQCC oxidized benzyl alcohol (H) and its derivatives ($p-OCH_3$, $m-CH_3$, $m-OCH_3$, m-Cl, $m-NO_2$) were effectively oxidized. Electron-donating substituents accelerated the reaction rate, whereas electron acceptor groups retarded the reaction rate. The Hammett reaction constant (${\rho}$) was -0.69 (308 K). The observed experimental data was used to rationalize the fact that the hydride ion transfer occurred at the rate-determining step.

• Applied Chemistry for Engineering
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• v.27 no.1
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• pp.110-114
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• 2016

Cr(VI)-pyrazine complex (PZCC) was synthesized by the reaction of pyrazine with chromium (VI) trioxide in 6 M HCl. The structure was characterized using IR spectroscopy and inductively coupled plasma (ICP). The oxidation of benzyl alcohol using PZCC in various solvents showed that the reactivity increased with the increase of the dielectric constant, in the order: N,N'-dimethylform-amide > acetone > chloroform > cyclohexene. In the presence of N,N'-dimethylformamide solvent with an acidic catalyst such as sulfuric acid ($H_2SO_4$ solution), PZCC oxidized benzyl alcohol (H) and its derivatives ($p-OCH_3$, $m-CH_3$, $m-OCH_3$, m-Cl, $m-NO_2$). Electron-donating substituents accelerated the reaction rate, whereas electron acceptor groups retarded the reaction rate. Hammett reaction constant (${\rho}$) was -0.70 (308 K). The observed experimental data were used to rationalize the hydride ion transfer in the rate-determining step.

• Applied Chemistry for Engineering
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• v.23 no.2
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• pp.241-246
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• 2012

Cr(VI)-heterocyclic complex (2,2'-bipyridinium dichromate) was synthesized by the reaction between of 2,2'-bipyridine and chromium trioxide in $H_2O$, and characterized by IR and ICP. The oxidation of benzyl alcohol using 2,2'-bipyridinium dichromate in various solvents showed that the reactivity increased with the increase of the dielectric constant, in the order: cyclohexene < chloroform < acetone < N,N-dimethylformamide. In the presence of DMF solvent with acidic catalyst such as $H_2SO_4$ solution, 2,2'-bipyridinium dichromate oxidized the benzyl alcohol and its derivatives (p-$p-OCH_3$, $m-CH_3$, H, $m-OCH_3$, m-Cl, $m-NO_2$). Electron-donating substituents accelerated the reaction, whereas electron acceptor groups retarded the reaction. The Hammett reaction constant was -0.66 (303 K). The observed experimental data was used to rationalize the hydride ion transfer in the rate-determining step.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.7 no.6
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• pp.1313-1318
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• 2006

The mechanism fur the surface film formation was studied by in situ Atomic Force Microscopy (AFM) observation of a highly oriented pyrolytic graphite (HOPG) basal plane surface during cyclic voltammetry at a slow scan-rate of 0.5 mV $s^{-1}$ in 1 moi $dm^{-3}$ (M) $LiPF_6$ dissolved in a mixture of ethylene carbonate (EC) and diethyl carbonate (DEC). Decomposition of the electrolyte solution began at a potential around 2.15 V vs. $Li^+$/Li on step edges. In the potential range 0.95-0.8 V vs. $Li^+$/Li, flat areas (hill-like structures) and large swelling appeared on the surface. It is considered that these two features were formed by the intercalation of solvated lithium ions and their decomposition beneath the surface, respectively. At potentials more negative than 0.80 V vs. $Li^+$/Li, particle-like precipitates appeared on the basal plane surface. After the first cycle, the thickness of the precipitate layer was 30 nm. The precipitates were considered to be decomposition of the lithium salt ($LiPF_6$) and solvent molecules (EC and DEC), and to have an important role in suppressing further solvent decomposition on the basal plane.