• Bulletin of the Korean Chemical Society
• /
• v.35 no.2
• /
• pp.629-630
• /
• 2014

• Journal of the Korean Chemical Society
• /
• v.68 no.2
• /
• pp.65-73
• /
• 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.

• Journal of the Korean Chemical Society
• /
• v.24 no.5
• /
• pp.347-355
• /
• 1980

The rate constants for the reaction of ${\alpha}$-naphthalene carbonyl chloride and ${\beta}$-naphthalene carbonyl chloride have been determined in methanol-acetonitrile and methanol-acetone. The rate constant of ${\alpha}$-naphtalene carbonyl chloride is higher than that of ${\beta}$-naphthalene carbonyl chloride. This behavior is consistent with Dewar's number, Nr and also Streitwieser's value ${\sigma}^+$. Since in the transition state carbonyl carbon is transformed to$sp^3$, no peri-hydrogen effect was observed.

• Bulletin of the Korean Chemical Society
• /
• v.3 no.3
• /
• pp.110-115
• /
• 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.

• Proceedings of KOSOMES biannual meeting
• /
• 2004.05b
• /
• pp.81-84
• /
• 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.

• Journal of the Korean Chemical Society
• /
• v.23 no.6
• /
• pp.339-348
• /
• 1979

The kinetics of the solvolysis of 2-furoyl chloride and 2-thenoyl chloride in $MeOH-H_2O,\;EtOH-H_2O,\;(Me)_2CO-H_2O,\;MeCN-H_2O$ and MeCN-MeOH has been investigated. The rates were faster in protic solvents than in aprotic solvents. This was caused by the bond breaking of leaving group through hydrogen-bonding solvation of protic solvents. In MeCN-M$\'{e}$OH the rate in MeOH rich solvents was faster than in MeCN rich solvents by the specific solvation of alcoholic hydrogen and there was a maximum rate of reaction at MeOH mole fraction of 0.8. The reaction rates of solvolysis were considerably slower than those of benzoyl chloride owing to the electron withdrawing effect of thienyl and furyl groups. It was concluded that solvolytic reaction proceeds via a dissociative $S_N2$ mechanism in which bond-breaking precedes bond-formation at the transition state.

• The Korean Journal of Food And Nutrition
• /
• v.30 no.6
• /
• pp.1286-1291
• /
• 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.

• The Korean Journal of Food And Nutrition
• /
• v.31 no.4
• /
• pp.543-548
• /
• 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
• /
• 2003.12a
• /
• pp.209-214
• /
• 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
• /
• v.11 no.1
• /
• pp.60-64
• /
• 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.