• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2369-2376
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• 2007

N2O has been found from experimental and theoretical considerations to bind on-top to the Pd(110) surface in a tilted end-on fashion via its terminal N atom. We use a frontier orbital description of the bonding interactions in the Pd-N2O system to obtain molecular insight into the catalytic mechanism of the activation of N2O by the Pd(110) surface giving rise to the formation of N2 and O on the surface. For the tilted end-on N2O binding mode, the LUMO 3π of N2O has good overlap with the Pd dσ and dπ orbitals which can serve as the electron donors. The donor-acceptor orbital overlap is favorable for electron transfer from Pd to N2O and is expected to dominate the surface reaction pathway of N2O decomposition.

• Journal of the Korean Chemical Society
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• v.22 no.3
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• pp.138-148
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• 1978

A discussion of the various theories of natural diamond formation is given. Experimental data from mass spectrometric analysis of included gases is related to theoretical data on the carbon-hydrogen-oxygen gas phase under geologic conditions.Possible temperature-pressure conditions for natural diamond formation are proposed.

• Bulletin of the Korean Chemical Society
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• v.26 no.4
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• pp.579-584
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• 2005

The 3-[(2-furylmethylene)amino]-2-thioxo-1,3-thiazolidin-4-one (FTT) was used as an excellent ionophore in construction of a $Zn^{2+}$ PVC-based membrane sensor. The best performance was obtained with a membrane composition of 30% poly(vinyl chloride), 62% nitrobenzen (NB), 3% FTT and 5% sodium tetraphenyl borate (TBP). This membrane sensor shows very good selectivity and sensitivity towards $Zn^{2+}$ over a wide variety of cations, including alkali, alkaline earth, transition and heavy metal ions. The membrane sensor revealed a great enhancement in selectivity coefficients for $Zn^{2+}$ ions, in comparison to the previously reported $Zn^{2+}$ membrane sensors. Theoretical studies also showed the selective interaction of TFF and $Zn^{2+}$ ions. The proposed membrane sensor exhibits a Nernstian behavior (with slope of 29.3 ${\pm}$ 0.3 mV per decade) over a wide concentration range (1.0 ${\times}$ $10^{-6}$-1.0 ${\times}$ $10^{-2}$) with a detection limit of 8.5 ${\times}$ $10^{-7}$ M (52 ng mL$^{-1}$). It shows relatively fast response time, in the whole concentration range ($\lt$ 20 s), and can be used for at least 10 weeks in a pH range of 3.0-7.0. The proposed membrane sensor was successfully used in direct determination of $Zn^{2+}$ ions in wastewater of industrial zinc electroplating companies, and also as an indicator electrode in titration with EDTA.

• Analytical Science and Technology
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• v.8 no.2
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• pp.187-193
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• 1995

A PVC membrane ion-selective electrodes based on N,N,N,N-tetrabenzylethylenediamine as neutral carrier has been prepared by addition of plasticizers such as phthalates and sebacate and liphophillic additives such as NaTPB. The membrane electrodes were investigated to the electric resistance, response range to hydrogen ion and the interfering effect of alkali and alkline earth metals. A electric resistance hardly had on effect of plasticizers. In case of 0.7% NaTPB added to membrane, response of the electrodes were shown the values near to theoretical Nernstian slope and interferences by alkali and alkaline earth metal were few influenced. The performances of pH-selective electrodes were shown linerality to hydrogen ion between pH 2 and 10 in the presense of alkali and alkaline earth ions. Reproducibility and stability tests were shown good results in the same pH range.

• Journal of the Korean Chemical Society
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• v.40 no.7
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• pp.483-491
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• 1996

Dieis-Alder reaction between cyclopentadiene and 5-membered ring compounds which have exo-cyclic double bond has been studied using the PM3 method. Transition states do not show large geometrical change with the variation of dienophiles. Two isomers are possible due to the rotation of the exo-cyclic double bond of a dienophile. The reactivity for the formation of different products are explained using the FMO energy gap. The exo and endo selectivity of the reaction has been also studied from the correlation between the deformation energy and the activation barrier. Minimum energy reaction path is discussed using the Curtin-Hammett principle.

• Journal of the Korean Chemical Society
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• v.12 no.2
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• pp.38-38
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• 1968

The conductivity of polycrystalline NiO is measured in the temperature range of $200^{\circ}C\; to\; 800^{\circ}C$ under oxygen pressures from $1.52{\times}10^2\; mmHg\; to\; 10^{-4}$ mmHg. The plots of the log ${\sigma}$ vs 1/T at constant oxygen pressure are found to be linear and the activation energies obtained from the slopes of these plots show that the energies are greater under high oxygen pressure than under low pressure. The transition points are found from the curves. The dependence of the conductivity on the $O_2$ pressure, in the above temperature range, is to be regular but it does not obey the theoretical expression, i.e.${\sigma}σ = K_{ox}P^{1/6}.$ The activation energies are calculated from the curves at the various condition.

• Journal of the Korean Chemical Society
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• v.12 no.2
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• pp.39-43
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• 1968

The conductivity of polycrystalline NiO is measured in the temperature range of $200^{\circ}C\;to\;800^{\circ}C$ under oxygen pressures from $1.52{\times}10^2\;mmHg\;to\;10^{-4}$ mmHg. The plots of the log ${\sigma}$ vs 1/T at constant oxygen pressure are found to be linear and the activation energies obtained from the slopes of these plots show that the energies are greater under high oxygen pressure than under low pressure. The transition points are found from the curves. The dependence of the conductivity on the $O_2$ pressure, in the above temperature range, is to be regular but it does not obey the theoretical expression, i.e. ${\sigma}=K_{ox}P^{1/6}.$ The activation energies are calculated from the curves at the various condition.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.08a
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• pp.77-77
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• 2012

As interest has increased in the interaction between low-temperature plasmas and materials, the role of modeling and simulation of processing in plasma has become important in understanding the effects of charged particles and radicals in plasma applications. Thus in this presentation, we present the theoretical and experimental studies of electron impact cross section for plasma processing gas, such as plasma etching and deposition processes. Also, here the work conducted at the Data Center for Plasma Properties (DCPP) over last 7 years on the systematic synthesis and assessment of fundamental knowledge on low-energy electron interactions with plasma processing gases is briefly summarized and discussed.

• Bulletin of the Korean Chemical Society
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• v.35 no.9
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• pp.2673-2678
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• 2014

The detailed mechanisms of the efficient $\small{L}$-proline and pyrrolidine catalyzed transamidation of acetamide with benzylamine have been investigated using density functional theory (DFT) calculations. Our calculated results show: (1) the mechanisms of two catalytic cycle reactions are similar. However, the rate-determining steps of their reactions are different for the whole catalytic process. One is the intramolecular nucleophilic addition reaction of 1-COM, the other is hydrolysis reaction of 2-C. (2) COOH group of $\small{L}$-proline is essential for efficient transamidation. The computational results are in good agreement with the experiment finding and mechanism resported by Rao et al. for $\small{L}$-proline-catalyzed synthesis of amidesin good to excellent yields.

• Journal of the Korean Chemical Society
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• v.29 no.5
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• pp.482-489
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• 1985

The substituted quinolinium salts of pentachlorooxomolybdate (V) have been synthesized and characterized by means of the investigation of elemental analysis, infrared spectra, electron spectra, electric conductivity. The results of elemental analysis were well coincided with the theoretical value and all prepared salts were mononuclear complexes. The complexes were binary univalent electrolytes and analyzed d-d transition and charge transfer transition.