• Bulletin of the Korean Chemical Society
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• v.35 no.3
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• pp.815-820
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• 2014

We applied the two-color resonant two-photon ionization and mass-analyzed threshold ionization techniques to record the vibronic and cation spectra of 2,4-difluorophenol. As supported by our theoretical calculations, only the cis form of 2,4-difluorophenol involves in the two-photon photoexcitation and pulsed field ionization processes. The band origin of the $S_1{\leftarrow}S_0$ electronic transition of cis-2,4-difluorophenol appears at 35 647 ${\pm}2cm^{-1}$ and the adiabatic ionization energy is determined to be 70 $030{\pm}5cm^{-1}$, respectively. Most of the observed active vibrations in the electronically excited $S_1$ and cationic ground $D_0$ states mainly involve in-plane ring deformation vibrations. Comparing these data of cis-2,4-difluorophenol with those of phenol, cis-2-fluorophenol, and 4-fluorophenol, we found that there is an additivity rule associated with the energy shift resulting from the additional fluorine substitution.

• Bulletin of the Korean Chemical Society
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• v.35 no.3
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• pp.851-857
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• 2014

Carotenoids, natural antenna pigments in photosynthesis share a symmetric backbone of conjugated polyenes. Contrary to the symmetric and almost planar geometries of carotenoids, excited state structure and dynamics of carotenoids are exceedingly complex. In this paper, recent infrared and visible transient absorption measurements and excitation dependent dynamics of 8'-apo-${\beta}$-caroten-8'-al and 7',7'-dicyano-7'-apo-${\beta}$-carotene will be reviewed. The recent visible transient absorption measurements of 8'-apo-${\beta}$-caroten-8'-al in polar and nonpolar solvents will also be introduced to emphasize the complex excited-state dynamics and unsolved problems in the $S_2$ and $S_1$ excited states.

• 제어로봇시스템학회:학술대회논문집
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• 1989.10a
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• pp.813-818
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• 1989

A two compartmented autoclave reactor for the polymerization of low density polyethylene is analyzed with respect to the effects of heat transfer and operation variables. Each compartment being considered as a completely mixed cell, two CSTRs model is proposed. The system shows various multiplicity features of steady state and periodic oscillatory motions. Heat removal efficiency and initiator supplement appear to have significant effect on the conversion of monomer with the temperature properly maintained, which should be taken into account in the reactor design.

• 한국전산유체공학회:학술대회논문집
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• 2010.05a
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• pp.562-566
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• 2010

Numerical analysis of 150kW Huels-type arc jet was performed using compressible Navier-Stokes CFD code. To consider chemical reaction by high temperature, the flow was assumed to be chemical equilibrium states. As a turbulence and a radiation model, the two-equation k-epsilon model and the 3-band radiation model were adopted, respectively. Mass flow rate and current density were given as conditions for calculations. In this study, two kinds of mechanisms for injection of air flow wire considered. One is that air is provided by left wall surface and the other is that air is injected from upper wall surface. The pressure, density and temperature contours of two cases were compared and heat transfer rates were estimated. The numerical results of two cases were not much different to each other. However, in real 150KW device, air is injected from upper wall surface with swirl. To calculate more accurately, swirl effect is must be considered.

• Journal of the Korean Chemical Society
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• v.25 no.3
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• pp.145-151
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• 1981

The intrinsic reactivity of $S_N2$reaction in the gas phase was discussed MO theoretically (CNDO/2). We investigated the changes in geometry and electronic structure by means of the partial geometry optimization for reactantes, transition states, and products with various nucleophiles and leaving groups. We found that it was possible to discuss qualitatively the reactivity of $S_N2$ reaction with CNDO/2 MO calculation and the reactivity was controlled by basicity and of induced polarizability.

• Journal of the Korean Chemical Society
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• v.7 no.1
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• pp.6-12
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• 1963

Amino acid composition of Makjang was determined by combined usage of ion exchanged resin and paper chormatography in the following states. a. A fraction soluble in water b. Hydrolysate of the whole Makjang c. Same as a. (p.p.t. formed by tungstic acid or trichloroacetic acid being removed) d. Hydrolysate of c. (T and TCA) By comparing amino acid composition of Makjang with that of its raw material, we found that decomposition of essential amino acids during brewing is slight. From the amino acid composition of a,b,c,d, we discussed the ratio of amino acid liberation during brewing and assumed that Makjang contains peptide-like substances composing of glutamic acid and aspartic acid.

• Bulletin of the Korean Chemical Society
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• v.23 no.11
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• pp.1553-1559
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• 2002

Calculations are presented for the molecule HC2N and its geometrical isomers. The structures, harmonic frequencies and dipole moments are reported. The potential energy surface of the [H,C,C,N] system is investigated in detail, and the transition states, intermediate complexes, and the energies of barrier for the isomerization and dissociation reactions are computed in order to determine the reaction paths and to estimate the stability of the isomers. The barriers of isomerization among HCCN, HCNC and HNCC are computed to be rather large and dissociations of these molecules are highly endothermic, indicating that these molecules are kinetically stable. The association reactions HC + CN→HCCN, HC + NC→HCNC, and HN + CC →HNCC are barrierless and very exothermic, suggesting that they may be considered as efficient means of producing the HCCN and the isomers in the laboratory and in interstellar space.

• Bulletin of the Korean Chemical Society
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• v.32 no.2
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• pp.451-454
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• 2011

The traditional BCS superconductors $AOs_2O_6$ (A=K, Rb, and Cs) were investigated to find the relationship between their structures and superconducting transition temperatures. The $T_c$ decreases with increasing the unit cell parameter of $AOs_2O_6$. This is in contrast to the case of conventional BCS superconductivity in a single bond model, where $T_c$ may increase with increasing the the unit cell parameter since the DOS at Fermi level increases as the unit cell parameter increases. Instead, the $T_c$ of a $\beta$-pyrochlore oxide is proportional to the lattice softness of the compound.

• Bulletin of the Korean Chemical Society
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• v.32 no.2
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• pp.719-721
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• 2011

• Journal of the Korean Ceramic Society
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• v.30 no.1
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• pp.17-24
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• 1993

Sol-gel spin-coating technique was used to produce Nb2O5 thin films on silicon substrates from Nb(OC2H5)5 precursor. The films were heat-treated at temperatures between $600^{\circ}C$ and 100$0^{\circ}C$ in oxygen atmosphere and their crystalline phases, chemical states, and dielectric characteristics were investigated by X-ray diffractometry (XRD), Auger electron spectroscopy (AES), and C-V measurements, respectively. After 1 hour heat-treatment at 80$0^{\circ}C$, T-type Nb2O5 was formed, and its chemical composition was homogeneous with no appreciable SiO2 oxide at interfaces between the films and substrates. The films heat-treated at temperatures between $600^{\circ}C$ and 80$0^{\circ}C$ exhibit dielectric constant of less than 20 while the films heat treated at 100$0^{\circ}C$ show dielectric constant of 28.