• Bulletin of the Korean Chemical Society
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• 제2권1호
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• pp.24-28
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• 1981

Theoretical studies of the sodium cation binding and the isotope hydration effects on the static model compound B-DNA have been qualitatively elucidated by using empirical potential energy functions. In the first place, the sodium cations bound to phosphate anions and their hydration scheme have been optimized and have given a reasonable agreement with other theoretical results and experimental studies. In the second stage, the isotope effect on the hydration through the substitution of $D_2O\;for\;H_2O$ has been carried out by the same procedure. The stabilization of B-DNA has been explained and compared in terms of the sodium cation binding to phosphate anions and its hydration in both cases of $H_2O\;and\;D_2O$.

• Bulletin of the Korean Chemical Society
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• 제9권2호
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• pp.84-87
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• 1988

The Photophysical and photochemical properties of Ruthenium bipyridine with two long hydrocarbon chains, $[Ru(bipy)_2(dhbipy)]^{2+}$ and transient phenothiazine derivative cation radical $(PTD^+)$ in the cationic vesicle were studied. Transient absorption spectra of cation radical of phenothiazine derivative in the vesicle system containing the $Ru^{2+}$ complex, $[Ru(bipy)_2(dhbipy)]^{2+}$, (1) as sensitizer and phenothiazine derivative as electron donor was observed by XeCl excimer laser photolysis system. Thus the excited ruthenium complex would be quenched by phenothiazine derivative(PTD) reductively in the vesicle system. The quenching rate constant($K_Q$) of $Ru^{2+}$ with two long hydrocarbon chains in the vesicle by PTD was $9.6{\times}10^8M^{-1}S^{-1}$. The absorption decay kinetics showed that lifetime of phenothiazine derivative cation radical is a value in the 4-8m sec range.

• Bulletin of the Korean Chemical Society
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• 제8권3호
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• pp.144-145
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• 1987

The relative stability as function of geometry in the rigid tricyclopropylcarbinyl cations with varied bond angle (${\alpha}$) between the plane of cyclopropane ring and the bond connecting cyclopropane ring to cationic carbon was examined by $^{19}F$ nmr spectroscopy. 7-p-Fluorophenyltricyclo[2.2.2.$0^{2,6}$]octan-7-yl(4) and 8-p-fluorophenyltricyclo[3.2.2.$0^{2,7}$]nonan-8-yl cation (8) were generated from corresponding tertiary alcohols under stable ion conditions, and their $^{19}F$ chemical shifts were compared with those of model compounds such as 7-nortricyclyl cation (3) and tricyclo[3.3.1.$0^{2,7}$]octan-8-yl cation (7). Consequently, it is concluded that the varied orientation of bond angle (${\alpha}$) within in the bisected conformation does not affect degree of the charge delocalization into cyclopropane ring.

• Bulletin of the Korean Chemical Society
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• 제14권6호
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• pp.692-696
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• 1993

Prediction of retention times in transition metal-mandelate and transition metal-tartrate complex systems were studied on the cation exchanger. Plots of k' vs [mandelate] and k' vs [tartrate] were obtained under the condition of a constant competing cation concentration. The equation to predict the retention time of transition metal ion was derived from the ion exchange equilibria. Individual capacity factors (${k_1}',\;{k_2}'$) and stability constants ($K_1,\;K_2$) of the complexes were calculated from the non-linear least square method. Good resolution of the transition metals was predicted by the stepwise equation in the gradient method. The values of retention times from the calculation and the experiment agreed well each other.

• Bulletin of the Korean Chemical Society
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• 제17권5호
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• pp.452-457
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• 1996

The effects caused by the ionization on the electronic structure and geometry on C60 are studied by the modified Su-Schriffer-Heeger (SSH) model Hamiltonian. After the ionization of C60, the bond structure of the singly charged C60 cation is deformed from Ih symmetry of the neutral C60 to D5d, C1, and C2, which is dependent upon the change of the electron-phonon coupling strength. The electronic structure of the C60+ cation ground state undergoes Jahn-Teller distortion in the weak electron-phonon coupling region, while self-localized states occur in the intermediate electron-phonon region, but delocalized electronic states appear again in the strong electron-phonon region. In the realistic strength of the electron-phonon coupling in C60, the bond structure of C60+ shows the layer structure of the bond distortion and a polaron-like state is formed.

• Bulletin of the Korean Chemical Society
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• 제18권6호
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• pp.636-640
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• 1997

The structure and conformational behavior of the oxyanions of calix[4]arene have been studied by the NMR spectrum. The structure of the oxyanions of calix[4]arene was completely dependent upon the counter cation in present. All of the anions derived from in the presence of NaH and KH appear to exist as a cone conformation, whereas those produced with lithium cation such as n-butyllithium and LiOD show a more varied conformational behavior. The mono and tetraanions with lithium cation exist as a cone conformation, the trianions appear to exist as a partial cone conformation, and the dianions appear to disproportionate to the mono and trianions. The conformational stability decreases in the order of $Li^+$ oxyanion > $Na^+$ oxyanion > $K^+$ oxyanion.

• 한국토양비료학회지
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• 제50권6호
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• pp.653-662
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• 2017

Copper(II) acetate spectrophotometry method (CASM) was used for the rapid and convenient determination of cation exchange capacity (CEC) in soils. This method is composed of a single-step exchange reaction that adsorbs copper and is measured through spectrophotometry. The CEC of 16 Korean soils were measured using 1M ammonium acetate method (AAM) and the CASM. The CEC values determined by CASM and AAM were not significantly different, and were highly correlated ($r=0.966^{**}$). Due to the convenience, cost effectiveness, and time saving analysis of CASM, this method is recommended for most soil laboratories to measure CEC in Korean soils. However, CASM may not be applicable for soils that have a much higher CEC (greater than $20cmol_c\;kg^{-1}$).

• 한국결정성장학회지
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• 제31권3호
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• pp.112-115
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• 2021

Herein, a correlation between B-site cation order and spin-phonon coupling in La₂NiMnO₆ double perovskite has been investigated. Raman spectra of La₂NiMnO₆ double perovskite annealed at 950 and 1400℃ have been measured in the 140-598 K range. A substantial softening of the phonon modes has been observed below the Curie temperature, which emphasized the presence of the spin-phonon coupling in the system. The spin-phonon coupling was found to be stronger in relatively more ordered La₂NiMnO₆ double perovskite. Thus, the magnitude of spin-phonon coupling was influenced by the Ni/Mn cation order.

• 한국광물학회지
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• 제15권4호
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• pp.329-344
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• 2002

국내산 벤토나이트들의 광물조성 및 특징과 양이온 교환특성과의 연계성을 규명하기 위해서, 정제나 분리 과정 없이 원광 단위로 XRD 정량분석, 화학적 용출실험, pH 및 양이온 교환능력 (CEC) 측정 등을 시행하였다. 리트벨트법에 의한 XRD 정량분석 결과, 국내산 벤토나이트들은 몬모릴로나이트(30～75 wt%) 외에 주요 불순물로서 제올라이트, 단백석, 장석류가 대개 25 wt% 이상 함유하는 것으로 밝혀졌다. 클리놉틸로라이트-휼란다이트 계열의 조성을 이루는 것으로 감정된 이 제올라이트들은 제올라이트질 벤토나이트의 양이온 교환특성에 심대한 영향을 미친다. 클리놉틸로라이트는 상대적으로 규질이며 밝은 색을 띠는 벤토나이트에서 흔히 볼 수 있고 단백석과 밀접한 공생관계를 이루며 산출되는 것이 특징이다. 대부분 Ca이 주된 교환성 양이온을 이루지만, 일부 제올라이트질 벤토나이트에서는 알칼리 이온의 함유도가 매우 높게 나타나기도 한다. 메칠렌블루법에 의해 측정된 CEC 값은 다소 산포되기는 하지만 몬모릴로나이트의 함량과 대체로 정비례하는 관계를 보이고 상대적으로 낮은 수준을 보인다. 이에 비해서 암모늄아세테이트법에 의해서 측정된 ‘Total CEC’ 값은 비교적 높은 수준(50～l15meq/100 g)을 보인다 이 같은 CEC 값의 차이는 특히 제올라이트질 벤토나이트에서 보다 크게 나타나고, 이는 제올라이트에 의한 CEC 증대효과로 간주된다. 단백석이나 장석류들은 벤토나이트의 양이온 치환능력에 별다른 영향을 미치지 않는 것으로 나타난다. 벤토나이트 현탁액의 pH는 교환성 양이온들 중에서 알칼리 성분 함유도, 특히 Na의 함유수준이 증가됨에 따라 pH=9.3에 이를 정도로 증대되는 경향을 보인다. 그렇지만 경우에 따라서는 소위 ‘산성백토’로 취급될 수 있을 정도로 낮은 pH(5～6) 값을 갖는 벤토나이트들도 있다. 이는 일부 국내산 벤토나이트들이 몬모릴로나이트의 층간 양이온으로서 $H^{＋}$ 을 일부 함유하고 있기 때문인 것으로 여겨진다. 궁극적으로 이 연구결과는 벤토나이트의 품위 산정에는 XRD 정량분석법이 적용되는 것이 합리적이고 CEC와 관련된 품질 특성은 전적으로 ‘Total CEC’ 개념에 의거하여 평가되어야 한다는 것을 시사한다.

• 한국가스학회지
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• 제9권4호
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• pp.17-25
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• 2005

탈알루미늄 및 알칼리/알칼리토금속 양이온을 교환한 Y형 제올라이트 촉매를 제조하였다. 제조한 촉매물질의 원소조성 및 구조 변화를 ICP-AES, XRF 및 XRD와 같은 각종 분광학적 방법으로 분석하였으며, NO-TPD 실험을 통한 표면흡착종의 탈착 거동을 조사하였다. 탈알루미늄 처리 후 출발물질인 NaY보다 촉매물질의 Si/Al비는 증가하였으며, 탈알루미늄 후 Cs및 Ba양이온으로 교환한 Y형 제올라이트의 경우 Si/Al비가 부가적으로 조금 더 감소하였다. 탈알루미늄 처리한 촉매는 Al원자의 탈리로 기본골격의 파괴가 심화되어 framework (tetrahedral)구조가 감소하고 non-framework (octahedral) 구조가 증가하였다. 이러한 현상은 스팀처리시간이 많아질수록 증가하였으며 양이온을 교환한 후에는 더 크게 나타났다. NO-TPD 실험에서 탈알루미늄 및 양이온 교환 후 촉매의 활성점을 나타내는 탈착 봉우리들은 저온으로 이동하였으며, 스팀처리시간이 많아질수록 탈착 봉우리가 상대적으로 저온에서 나타났다. 탈알루미늄 및 양이온 교환을 한 Y형 제올라이트는 교환된 양이온과 탈알루미늄으로 인한 non-framework (octahedral) 구조의 생성이 촉매의 활성에 미치는 영향이 더 큰 것으로 나타났다.