• 대한화학회지
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• 제68권2호
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• pp.65-73
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• 2024

The halide-acetylene anions, X^--HCCH (X = F, Cl, and Br) have been studied by using several different ab initio and DFT methods to determine structures, hydrogen-bond energies, vibrational frequencies of the anion complexes. Although the halide-acetylene complexes all have linear equilibrium structures, it is found that the fluoride complex is characterized with distinctively different structure and interactions compared to those of the chloride and bromide complexes. The performance of various density functionals on describing ionic hydrogen-bonded complexes is assessed by examining statistical deviations with respect to high level ab initio CCSD(T) results as reference. The density functionals employed in the present work show considerably varying degrees of performance depending on the properties computed. The performances of each density functional on geometrical parameters related with the hydrogen bond, hydrogen-bond energies, and scaled harmonic frequencies of the anion complexes are examined and discussed based on the statistical deviations.

• 대한화학회지
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• 제24권5호
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• pp.347-355
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• 1980

${\alpha}$- 및 ${\beta}$-염화나프탈렌카르보닐의 가메탄올 분해반응속도를 메탄올-아세톤, 메탄올-아세토니트릴 혼합용매 속에서 측정하였다. 각 혼합용매마다 공통적으로 ${\alpha}$-염화나프탈렌카르보닐이 ${\beta}$-염화나프탈렌카르보닐보다 반응속도 상수가 크게 관측되었다. 이것은 Dewar수 Nr과 Streitwieser의 ${\sigma}^+$값과도 일치하였다. 카르보닐탄소가 천이상태에서 $sp^3$로 바뀌어 인접수소에 의한 입체장애가 없어지는 것을 알 수 있었다.

• Bulletin of the Korean Chemical Society
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• 제3권3호
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• pp.110-115
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• 1982

Thermochemistry and photochemistry of picolyl chlorides were studied. The thermal reaction of 2-picolyl chloride in benzene afforded intermolecular condensation product. In the case of 3-picolyl chloride, this type of the reaction did not occur, but polymers were obtained. A cyclic hexamer, suggested by a molecular model, was not formed because of the steric strain and low reactivity. The thermal reaction of 4-picolyl chloride gave a cyclic hexamer as well as a polymer. The cyclic hexamer, identified by NMR spectrum, showed ${\lambda}_{max}$ at 460 nm. The cyclic hexamer was cloven to the linear structure. Photolysis of 2-picolyl chloride at 253.7 nm gave a para-isomer followed by polymerization. When a methyl hydrogen of 2-methylpyridine is substituted by $CH_3O$, iso-PrO, and EtO group, the photoisomerization to the corresponding anilines or para-substituted pyridines did not occur within the range of the time used for 2-picolyl chloride. Thermolysis of picolyl chlorides in an acidic methanol solution did not afford any product.

• 해양환경안전학회:학술대회논문집
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• 해양환경안전학회 2004년도 춘계학술발표회
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• pp.81-84
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• 2004

Control of Sediment is very important in prawn farm due to the eruption of toxic material such as W1ionized H2S, NH3 and NO2-. In this study, column test study, column with filter media such as activated carbon, zeolite, oyster shell and iron chloride to evaluate the reduction of toxicity from sediment ammonia-N(NH3) was effectively removed by Zeolite and oyster shell. It was indicated that ammonium ion(NH4+) was removed by ion exchange of zeolite. And the ammonia in the column of oyster shell was existed as the form of NH4+, which is not toxic for prawn because oyster shell was stably kept around pH 8. Therefore, some of ammonia(NH3) was reduced by oyster shell. Hydrogen sulfide and COD were effectively removed by adsorption of activated carbon and a partial removal of hydrogen sulfide was accomplished by Oyster shell. Phosphorous was removed by activated carbon, oyster shell and iron chloride. In prawn farm, the concentration of ammonia was increased with increase of pH by algae photosynthesis in the column of activated carbon, zeolite and iron chloride, but it was revealed that pH was stably kept in the column of oyster shell.

• 대한화학회지
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• 제23권6호
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• pp.339-348
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• 1979

물-메탄올, 물-에탄올, 물-아세트니틜, 물-아세톤 및 아세트니트릴-메탄올의 2성분 혼합용매에서 2-염화테노일 및 2-염화퓨로일의 가용매분해 반응을 속도론적으로 연구하였다. 반응 속도는 반양성자성 용매에서 보다 양성자성 용매에서 더 빨랐으며 이것은 양성자성용매의 수소결합능력이 이탈기의 결합의 파괴를 돕기 때문이다. 그러나 아세트니트릴-메탄올 혼합용매에서는 특수용매화가 일어나며, 메탄올 몰분율 0.8부근에서 최대속도를 나타낸다. 또한 이 반응은 염화벤조일보다 느리며 그 속도 순서는 염화벤조일 > 2-염화테노일 > 2-염화퓨로일이며 이 중에서 퓨란고리의 전자흡인성이 제일 강함으로 전이상태에서 결합의 파괴가 어려워져서 반응속도가 늦어지는 것이다. 반응메카니즘은 전이상태에서 결합의 파괴가 결합의 형성보다 많이 진행된 dissociative $S_N2$ 반응이기는 하나 2-염화테노일은 물 함량이 많은 부분에서는 $S_N1$ 성겨기 꽤 크고 $S_N2$ 성격이 약화된다.

• 한국식품영양학회지
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• 제30권6호
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• pp.1286-1291
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• 2017

In this study, Pyracantha angustifolia (Franch.) C. K. Schneid was extracted with 70% methanol at room temperature for 48 hrs and concentrated under reduced pressure to measure its total polyphenol contents; furthermore, the effect of electron donating ability was examined. Methylene chloride, ethyl acetate, and methanol were used to fractionate the extract to testify total polyphenol contents, electron donating abilities, the removal abilities of superoxide radical as well as hydrogen peroxide. The total polyphenol contents were $2007.30{\pm}109.28{\mu}g\;GAE/mL$ in 70% methanol extract, $273.39{\pm}10.19{\mu}g\;GAE/mL$ in methylene chloride fraction, $80.57{\pm}0.64{\mu}g\;GAE/mL$ in ethyl acetate fraction, and $1,160.87{\pm}44.71{\mu}g\;GAE/mL$ in methanol fraction. The total polyphenol contents showed significant differences (p<0.05) between the solvents. The electron donating ability was $79.07{\pm}7.31%$ for 70% methanol extract, $22.34{\pm}0.64%$ for methylene chloride fraction, $5.33{\pm}0.28%$ for ethyl acetate fraction, and $32.26{\pm}1.10%$ for methanol fraction. The electron donating abilities were significantly different(p<0.05) between the solvents. The removal ability of superoxide radical was $0.018{\pm}0.003$ for 70% methanol extract, $0.007{\pm}0.002$ for methylene chloride fraction, $0.0147{\pm}0.003$ for ethyl acetate fraction, and nothing for methanol fraction. The measurement of hydrogen peroxide decomposition was $0.022{\pm}0.0046$ for 70% methanol extract, $0.0027{\pm}0.0015$ for methylene chloride fraction, $0.0037{\pm}0.0012$ for ethyl acetate fraction, and $0.0009{\pm}0.0001$ for methanol fraction.

• 한국식품영양학회지
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• 제31권4호
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• pp.543-548
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• 2018

This study was conducted to investigated the antioxidant activities of extract for Megmoondong fruit. Liriope platyphylla L. was extracted with 70% methanol at room temperature for 48 hr and concentrated under reduced pressure to measure its total polyphenol contents and electron donating ability. The total polyphenol contents were $7,253.50{\pm}335.43{\mu}g\;GAE/mL$ in 70% methanol extract, $1,239.77{\pm}9.30{\mu}g\;GAE/mL$ in methylene chloride fraction, $919.30{\pm}50.83{\mu}g\;GAE/mL$ in methanol fraction, $105.44{\pm}2.04{\mu}g\;GAE/mL$ in ethyl acetate fraction. The total polyphenol contents showed significant differences (p<0.05) between the solvents. The electron donating ability was $69.17{\pm}12.61%$ for 70% methanol extract, $33.11{\pm}1.77%$ for methylene chloride fraction, $5.19{\pm}2.59%$ for ethyl acetate fraction, and $20.16{\pm}1.04%$ for methanol fraction. The electron donating abilities were significantly different (p<0.05) between the solvents. The removal ability of superoxide radical was $0.0174{\pm}0.0007$ for 70% methanol extract, $0.0164{\pm}0.0007$ for methylene chloride fraction, $0.0172{\pm}0.0007$ for ethyl acetate fraction, and nothing for methanol fraction. The measurement of hydrogen peroxide decomposition was $0.0985{\pm}0.1021$ for 70% methanol extract, $0.0896{\pm}0.0893$ for methylene chloride fraction, $0.0115{\pm}0.0085$ for ethyl acetate fraction, and $0.0170{\pm}0.0180$ for methanol fraction. The Liriope platyphylla L. extracts obtained from methylene chloride showed significantly relevant results in the total polyphenol contents and electron donating ability, which was higher than the original extract.

• 한국연소학회:학술대회논문집
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• 대한연소학회 2003년도 제27회 KOSCO SYMPOSIUM 논문집
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• pp.209-214
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• 2003

Numerical simulations are performed at atmospheric pressure in order to understand the effect of additives on flame speed, flame temperature, the radical concentration, the NOx formation in freely propagating $CH_4/O_2/N_2$ flames. The additives used are carbon dioxide and hydrogen chloride which have a combination of physical and chemical behavior on hydrocarbon flame. In the flame established with the same mole of methane and additive, $CO_2$ addition significantly contributes toward the reduction of flame speed and flame temperature by the physical effect, whereas addition of HCl mainly does by the chemical effect. The impact of HCl addition on the decrease of the radical concentration is about 1.6-1.8 times as large as $CO_2$ addition. Hydrogen chloride addition is higher on the reduction of EINO than $CO_2$ addition because of the chemical effect of HCl.

• Bulletin of the Korean Chemical Society
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• 제11권1호
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• pp.60-64
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• 1990

The reactions of alkanesulfonyl chlorides with pyridines in the presence of various solvents have been studied by means of kinetic method. Alkanesulfonyl chlorides bearing ${\alpha}$-hydrogen with the normal attack of pyridine is found to be at the ${\alpha}$-hydrogen with elimination to form the sulfene intermediate evidently. From the mass spectra by the reaction of ethanesulfonyl chloride with 3-picoline in the presence of methanol-$d_1$, it has shown that the reaction has a witness favorable to the slulfene intermediate.

• Bulletin of the Korean Chemical Society
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• 제16권6호
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• pp.528-533
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• 1995

Metallic iridium and rhodium powders prepared from the reactions of [M(COD)(PhCN)2]ClO4 (M=Ir(1), Rh(2); COD=1,5-cyclooctadiene) with hydrogen at room temperature in methylene chloride show catalytic activities for hydrogenation of arenes at room temperature under atmospheric pressure of hydrogen. Most substituents (CH3, COOH, NO2, CH2OH, CHO, OPh, OCH3, C=C, halogens and CH2Cl) on aromatic ring suppress the rate of the hydrogenation of the aromatic ring while the aromatic ring hydrogenation of phenol and 1,4-dihydroxobenzene is faster than that of benzene over these metallic powders. Hydrogenation of benzoic acid occurs only at the aromatic ring leaving the COOH group intact over iridium metal powders while benzoic acid is not hydrogenated at all over rhodium metal powders. Carbonyl, nitro, acetylenic and olefinic groups on an aromatic ring are hydrogenated prior to the aromatic ring hydrogenation. Hydrogenolysis of OH groups of phenol, benzyl alcohol and 1,4-dihydroxobenzene, and hydrodehalogenation of halobenzenes, benzyl halides and cinnamyl chloride also occur along with the hydrogenation of aromatic ring.