• 한국전기전자재료학회논문지
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• 제15권7호
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• pp.570-575
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• 2002

$SrBi_2Ta_2O_9$ thin films were etched in $Cl_2/CF_4/Ar$ inductively coupled plasma (ICP). The maximum etch rate was 1300 ${\AA}/min$ at 900 W ICP power in Cl$_2$(20%)/$CF_4$(20%)/Ar(60%). As RF source power increased, radicals (F, Cl) and ion ($Ar^+$) increased. The influence of plasma induced damage during etching process was investigated in terms of P-E hysteresis loops, chemical states on the surface, surface morphology and phase of X-ray diffraction. The chemical states on the etched surface were investigated with X-ray spectroscopy and secondary ion mass spectrometry. After annealing $700^{\circ}C$ for 1 h in $O_2$ atmosphere, the decreased P-E hysteresises of the etched SBT thin films in Ar and $Cl_2/CF_4/Ar$ plasma were recovered.

• 대한화학회지
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• 제45권2호
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• pp.156-161
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• 2001

여러 가지 산화상태의 폴리아닐린을 화학적으로 합성하여 FT-IR, UV-Vis, GPC, TG-DTA로 측성 분석하였다. ITO 기관위에 다양한 산화상태의 LEB-PAN/NMP 용액으로 스핀코팅하고, AI 전극을 진공증착하여 단일층 발광다이오드를 제작하고 I-V 특성과 EL 스팩트럼에서 완전환원형인 LEB 함량이 증가할수록 ${\pi}$-${\pi}$* 전이의 장파장이동과 분자 엑시톤 전이 세기가 감소하고 PL과 EL 세기가 증가하는 것을 확인하였다. ITO/LEB/AI 구조의 LED에서 작동 전압은 5V 이었다. 백색광은 단지 폴리아닐린의 환원형 구조에서만 발광하는 것을 확인하였다.

• Bulletin of the Korean Chemical Society
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• 제31권9호
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• pp.2627-2632
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• 2010

Hormone sensitive lipase (HSL) plays a major role in energy homeostasis and lipid metabolism. Several crystal structures of HSL-homolog proteins have been identified, which has led to a better understanding of its molecular function. HSL-homolog proteins exit as both monomer and dimer, but the biochemical and structural basis for such oligomeric states has not been successfully elucidated. Therefore, we determined the crystal structure of HSL-homolog protein EstE7 from a metagenome library at $2.2\;{\AA}$ resolution and characterized the oligomeric states of EstE7 both structurally and biochemically. EstE7 protein prefers the dimeric state in solution, which is supported by its higher enzymatic activity in the dimeric state. In the crystal form, EstE7 protein shows two-types of dimeric interface. Specifically, dimerization via the external ${beta}8$-strand occurred through tight association between two pseudosymmetric folds via salt bridges, hydrogen bonds and van der Waals interactions. This dimer formation was similar to that of other HSL-homolog protein structures such as AFEST, BEFA, and EstE1. We anticipate that our results will provide insight into the oligomeric state of HSL-homolog proteins.

• Bulletin of the Korean Chemical Society
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• 제24권7호
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• pp.931-936
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• 2003

By the use of multi-loop thermodynamic boxes developed here by us, we show that models of enzyme catalysis (e.g., split-site model) developed in an attempt to emphasize the importance of the reactant-state destabilization and, thus, demonstrate misleading nature of the fundamentalist position which defines Pauling's transition-state stabilization as the entire and sole source of enzyme catalytic power, should be reduced to the fundamentalist formulation which completely neglects dynamical aspects of mechanism between the reactant and the transition states and dwells only on events restricted to the reactant and transition states alone, because the splitsite (and other canonical) formulations as well as fundamentalist formulations are based, in common, on equilibrium assumptions stipulated by the thermodynamic box logics. We propose to define the equilibrium assumptions as the requisite and sufficient conditions for the fundamentalist position to enjoy its primacy as central dogma, but not as sufficient conditions for its validity, because it is subjected to contradictions presented by existing data.

• Bulletin of the Korean Chemical Society
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• 제1권1호
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• pp.35-39
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• 1980

A vacuum ultraviolet photolysis of ethyl bromide was studied in the pressure range of 0.5-19.9 torr and at 123.6 nm krypton resonance line. The pressure effect on the reaction was studied by increasing the reactant pressure and by adding an inert gas, e.g., He. In the observation the monatomic gas is found to be no effect in the reaction. A scavenger effect of the reaction was also performed by adding NO gas as a radical scavenger and was found to be quite efficient to scavenge a radical product $C_2H_6$. The observation of the major reaction product $C_2H_6$ was interpreted in terms of a molecular elimination. Nontheless the decreasing phenomenon of ${\phi}_{C_2H_4}/{\phi}_{C_2H_6}$ with pressure rise was attributed to the existence of the two electronically excited states. One state proceeds to the molecular elimination and the other to carbon-bromine bond fission. The excitation and the decomposition mechanisms between two excited states and the reaction products were interpreted in terms of the first excitation which proceeds the molecular elimination, and the second excitation which resulted from the first excited state by collisional cross over decomposes by carbon-bromine bond fission.

• Bulletin of the Korean Chemical Society
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• 제20권12호
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• pp.1493-1500
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• 1999

The electronic transitions from the ground state to low-lying excited states of CF₃OH have been investigated using high level ab initio quantum mechanical techniques. Also the possible photodissociation procedures of CF₃OH have been considered. The highest level employed in this study is TZP CCSD(T) level of theory. The possible four low-lying excited states can result by the excitation of the lone pair electron (n) in oxygen to σ$^*$ molecular orbital in C-O or O-H bond. The vertical transition (n → σ$^*$) energy is predicted to be 220.5 kcal/mol (130 nm) at TZ2P CISD level to theory. The bond dissociation energies of CF₃OH to CF₃O +H and CF₃+OH have been predicted to be 119.5 kcal/mol and 114.1 kcal/mol, respectively, at TZP CCSD level of theory. In addition, the transition state for the unimolecular decomposition of CF₃OH into CF₂O + HF has been examined. The activation energy and energy separation for this decomposition have been computed to be 43.6kcal/mol and 5.0 kcal/mol including zero-point vibrational energy corrections at TZP CCSD(T) level of theory.ed phenols were also estimated.

• Bulletin of the Korean Chemical Society
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• 제15권8호
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• pp.663-669
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• 1994

Decay kinetics of Ga(5s), Ga(5p) and Ga(4d) atoms in Ar were studied by laser induced fluorescence technique. Theground state gallium atoms in the gas phase were generated by pulsed dc discharge of trimethyl gallium and argon mixtures. Both pulsed discharge and YAG-DYE laser system were controlled by a dual channel pulse generator and the delay time between the end of discharge and laser pulses was set 3.0-6.0 ms. The Ga(5s) and Ga(4d) atoms were generated by single photon excitation from the ground state Ga atoms and radiative lifetimes as well as the total quenching rate constants in Ar were obtained from the pressure dependence of the fluorescence decay rates. The Ga(5p) atoms were populated by a two-photon excitation method and the cascade fluorescence from Ga(5s) atoms were analyzed to extract quenching rate constant of Ga(5p) atoms by Ar in addition to radiative lifetimes of Ga(5p) state. The magnitudes of the quenching rate constants by Ar for the low-lying excited states of Ga atoms are 1.6-3$ {\times}10^{-11}cm^3$ molecul$e^{-1}s^{-1}$, which are much larger than those for alkali, alkaline earth and Group 12 metals. Based on the measured rate constants, kinetic simulations were done to assign state-to-state rate constants.

• Bulletin of the Korean Chemical Society
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• 제7권4호
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• pp.262-266
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• 1986

A multi-reference many-body perturbation theory (MRMBPT) method is critically tested in second order by comparing with the corresponding configuration interaction (CI) calculations. Excitation energies of the four-valence-electron states of transition metal atoms and ions are used for the comparison. The agreement between the second order MRMBPT and CI calculations is very reasonable, confirming the reliability of the second order MRMBPT method. The reliability of calculations with the present second order MRMBPT method was only been inferred empirically in the past since most results have been gauged by the agreement with experiment and/or with other MRMBPT calculations based upon different sets of orbitals and configuration spaces. The present MRMBPT method appears to be an efficient ab initio multi-reference method for the calculation of electron correlation effects in atoms and molecules, and it is shown how MRMBPT can be used to estimate core-core and core-valence correlation effects which are often omitted in CI calculations because too many configurations and correlating electrons are involved.

• 대한화학회지
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• 제23권5호
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• pp.314-319
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• 1979

바닥 말무리 dinoflagellate의 광합성 에너지 수용 색소인 peridinin의 전자 흡수스펙트럼을 PPP SCF MO 계산결과와 형광 편광 실험결과에 견주어 분석하였다. 청색광 부위의 흡수띠 (470 nm)는 $B{\leftarrow}A$ 천이에 대응하여 분자의 장축과 거의 평행 방향으로 편광되어 있음이 예측된다. 소위 "cis peak" 영역의 근자외선 흡수띠는 두개의 비교적 약한 ${\pi}{\rightarrow}{\pi}^*$천이 $(C{\leftarrow}A$와 $D{\leftarrow}A)$에 기인하며 그 편광축은 $^1B{\leftarrow}A$편광축 방향과 근접되어 있음이 MO 계산과 편광 측정에 의해 추정되었다. 그리고 락톤 카르보닐 원자단의 전자구조는 $^1B$ 상태에서도$^1A$ 상태 (ground state)에 비해서 과히 변화함이 없으나, allene기는 charge transfer적 성격을 농후하게 띠고 있어서 들뜬상태에서는 allene기가 전자결핍상태가 되는 것이 예측된다.

• Bulletin of the Korean Chemical Society
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• 제25권2호
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• pp.226-232
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• 2004

Ground and low-lying electronic states of Cr atoms in the gas phase were generated from photolysis of $Cr(CO)_6$ vapor in He or Ar using an unfocussed weak UV laser pulse and their reactions with $O_2$ and $N_2O$ were studied. When 0.5-1.0 Torr of $Cr(CO)_6$ /$O_2$ /He or Ar mixtures were photolyzed using 295-300 nm laser pulses, broadband chemiluminescence peaked at ~420 and ~500 nm, respectively, was observed in addition to the atomic emissions from $z^7P^{\circ}$, $z^5P^{\circ}$, and $y^7P^{\circ}$ states of Cr atoms. When $N_2O$ was used instead of $O_2$, no chemiluminescence was observed. The chemiluminescence intensities as well as the LIF intensities for those three low-lying electronic states ($a^7S_3,\;a^5S_2\;and\;a^5D_J$) showed second-order dependence on the photolysis laser power. Also, the chemiluminescence intensities were first-order in $O_2$ pressure, but the presence of excess Ar showed a strong inhibition effect on them. Based on the experimental results, the chemiluminecent species in this work is attributed to $CrO_2^*$ generated from hot ground state Cr atoms with $O_2$. The apparent radiative lifetimes of the chemiluminescent species and collisional quenching rate constants by $O_2$ and Ar also were investigated.