• Title/Summary/Keyword: Chemical reactivities

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Molecular Orbital Studies on Nucleophilic Reactivities of Phenethyl Chlorides (염화훼네틸의 친핵반응성에 대한 분자궤도론적 연구)

  • Lee, Euk-Suk;Lee, Ik-Choon
    • Journal of the Korean Chemical Society
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    • v.16 no.2
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    • pp.64-69
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    • 1972
  • Nucleophilic reactivities of 1-and 2-phenethyl chlorides have been investigated MO-theoretically using the EHT method. It has been shown that results of population analysis are consistent with the experimental order of relative nucleophilic reactivities and furthermore the reversal of the reactivity order for the less reactive nucleophile, $I^-$, could also be explained satisfactorily.

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Determination of Relative Reactivities of Free Hydroxyl Groups in β-Cyclodextrin, Amylose, and Cellulose by Reductive-Cleavage Method

  • 이창규;김은주;전중호
    • Bulletin of the Korean Chemical Society
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    • v.20 no.10
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    • pp.1153-1158
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    • 1999
  • β-Cyclodextrin, amylose, and cellulose were partially methylated and acetylated in order to examine the relative reactivities of 2-, 3-, and 6-OH groups to alkylation and acylation. The partially methylated samples of the polysaccharides were treated with excess of ethyl iodide and sodium hydroxide in dimethyl sulfoxide to convert all of the free hydroxyl groups to ethyl ether groups. The partially O-ethylated and O-methylated polysaccharides were reductively cleaved with triethylsilane in the presence of trimethylsilyl methanesulfonate and borontrifluoride etherate (5 : 1 by mole) and the resulting 4-OH group was acetylated and benzoylated to form mixtures of eight 4-O-acyl-1,5-anhydroalditols. The relative ratio of the alditol esters were analyzed by gas chromatography to determine the degree of substitution at each position. A similar sequence of reactions was carried out with partially acetylated polysaccharides. The results indicated that the order of relative reactivities for methylation are 2-OH > 6-OH > 3-OH and for acylation are 6-OH > 2-OH > 3-OH regardless of the anomeric configuration.

Studies on the Reactivity of Korean Anthracites. (Part 1) Setting-Up of an Apparatus for Testing the Reactivity of Korean Anthracites (無煙炭의 反應成에 關한 硏究 (第1報) 反應成 試驗藏置의 試作)

  • Hahn, Tae-Hee;Lee, Chai-Sung;Shin, Sung-Sik
    • Journal of the Korean Chemical Society
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    • v.6 no.1
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    • pp.47-53
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    • 1962
  • The "reactivity" of coal is one of the important characteristics of a coal used as a process raw material as well as a fuel. In this study, the reactivity was measured in terms of the magnitude of the reaction rate constant in the reduction of carbon dioxide with coal. A reactivity-testing apparatus was designed and constructed, and its performance characteristics were investigated by using Korean anthracite and hard-wood charcoal. Experiments were carried out at temperatures ranging from 750 to 1100$^{\circ}C$ with pulverized Korean anthracite whose sizes range from 1 to 10mm in diameter. Results showed that the reaction rate constant was not appreciably affected by the particle size investigated, and the reactivities of the anthracite and the charcoal were found to be a function of reaction temperature alone. It was also found that a straight line was produced when the logarithm of the rate constant is plotted against the reciprocal of the absolute temperature. The reactivities of the charcoal were found to be 2 to 10 times higher than those of the anthracite at a temperature ranging from 750 to 1100$^{\circ}C$, and 90% of carbon dioxide was reduced to carbon monoxide by the anthracite at a temperature above 1050$^{\circ}C$.

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Comparison of the Chemical Reactivity between Sulfuric and Methanesulfonic Acids as a Leaching Agent (침출제로 황산과 메탄술폰산의 화학적 반응성 비교)

  • Tran, Thanh Tuan;Moon, Hyun Seung;Lee, Man Seung
    • Resources Recycling
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    • v.30 no.3
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    • pp.41-46
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    • 2021
  • Methanesulfonic acid (MSA) can be considered effective in the leaching of metals because of its advantageous physical and chemical properties. The chemical reactivities of MSA and sulfuric acid were compared based on their structures and the dissolution data of Co and Ni metal. The inductive and resonance effects play a vital role in the chemical reactivities of these two acids. The dissolution percentages of Co and Ni in the sulfuric acid solution were higher than those in the MSA solution under the same experimental conditions. Considering the strong acidity of MSA and the high solubility of its metal salts, MSA can be employed as a leaching agent for the recovery of metals.

Some Considerations on Cyclopentadiene by the Extended Huckel Method (Cyclopentadiene의 電子狀態와 反應性 (Extended Huckel Method에 依한))

  • Pack, Byung-Kak
    • Journal of the Korean Chemical Society
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    • v.12 no.3
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    • pp.85-88
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    • 1968
  • The resonance parameter value between the saturated carbon and unsaturated carbon atom in cyclopentadiene has been evaluated. And then cyclopentadiene has been investigated on the correlations between it's electronic structures and reactivities by means of the extended Huckel method proposed by R. Hoffmann.

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A Theoretical Consideration on the Reactivities of the Prophin and Phthalocyanine Nucleus by the Simple Huckel Method (Porphin과 Phthalocyanine 核의 反應性에 對한 分子 軌道法的 考察)

  • Pack, Byung-Kak;Hong, Young-Suk
    • Journal of the Korean Chemical Society
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    • v.12 no.3
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    • pp.89-92
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    • 1968
  • A theoretical study was made on the energies of ${\pi}$ electrons and the reactivity of each atom of porphin nucleus and phthalocyanine nucleus in the ground states. The energy of each ${\pi}$ orbital, the superdelocalizabilities and the bond orders have been calculated by the simple Huckel method. With respect of these two compounds, results of the calculations have shown that the energy differences between highest occupied orbitals and lowest vacant orbitals are relatively less than those of other common organic compounds. This suggests that these two compounds will be easily excited. Then, by superdelocalizabilities and bond orders, the reactivities of electrophilic, nucleophilic and radical reactions and bond strenghs have been respectively considered.

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Syntheses of 3-Pyrimidyl- and 3-Pyranyl-5,6-benzocoumarin Derivatives

  • El-Deen, Ibrahim M.;Al-Wakeel, El-Sayed I.;El-Mawla, Ahmed G.
    • Bulletin of the Korean Chemical Society
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    • v.23 no.4
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    • pp.610-612
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    • 2002
  • A competitive enzyme-linked immunosorbent assay (ELISA) was developed for the quantitative detection of organophosphorus insecticide cyanophos. An analogue (hapten) of cyanophos was synthesized and was coupled to BSA to produce polyclonal antibodi es from rabbits. The antisera were screened against another hapten coupled to ovalbumin (OVA). Using the sera of highest specificity, an antigen-coated ELISA was developed, which showed an I50 of 310 ng/mL with the detection limit of 20 ng/mL. The antibodies showed negligible cross-reactivities with other organophosphorus pesticides except for parathion-methyl, which makes the assay suitable for the selective detection of cyanophos.

Effect of an Extra Chloro Substituent on Photochemistry of o-Alkylphenacyl Chloride

  • Park, Bong-Ser;Jeong, Seong-Jin
    • Bulletin of the Korean Chemical Society
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    • v.30 no.12
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    • pp.3053-3056
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    • 2009
  • The title compound, ${\alpha},{\alpha}$-dichloro-o-methylacetophenone, was prepared and its photochemical behavior was investigated. Addition of an extra chlorine at alpha position to the carbonyl showed many different features from photochemical reactivities of mono chloro analogue, 2,5-dimethylphenacyl chloride. In benzene, a rearrangement product with a formal 1,5-Cl shift and a reduction product were formed beside indanone. In methanol, solvolysis and cyclization of a common dienol intermediate occurred at comparable reaction rates.

Semiempirical MNDO Calculations for Halocyclopentynes

  • Han, In-Youl;Lee, Yoon-Sup;Kim, Ja-Hong
    • Bulletin of the Korean Chemical Society
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    • v.10 no.3
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    • pp.289-292
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    • 1989
  • Electronic structures and ethylene addition reaction for halocyclopentynes are investigated using MNDO method. Electronic effects due to the halogen substitution are very small for halocyclopentynes. Fluorocyclopentyne is slightly more stable than cyclopentyne and other halocyclopentynes, but reactivities for cycloaddition reactions are about the same for all halocyclopentynes and cyclopentyne. Stabilization effect is substantial for hexafluorocyclopentyne.