• Title/Summary/Keyword: Reaction Mechanism

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A Study on the Mechanism for Photochemical Insertion of Methanol Into Aryl Ketocarbenes

  • Sung, Dae-Dong;Lee, Jong-Pal;Lee, Yong-Hee;Ryu, Worl-Sun;Ryu, Zoon-Ha
    • Journal of Photoscience
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    • v.7 no.1
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    • pp.15-19
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    • 2000
  • The photochemical reaction mechanism has been investigated for methanol insertion into the p-substituted phenylketo carbenes. The triplet spin state of phenyl koto carbene is stabilized by the neighbored carbonyl electrons. When the phenylketo carbene reacts with methanol, the ylied intermediate is formed, then moves to the activated transition state.

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A study on the reaction mechanism on the harmful gases related to the human physiology caused by fire and panic phenomenon. (화재발생시의 유해가스의 반응 메카니즘과 패닉현상)

  • Yoon, Moung-Hoon;Kwon, Young-Jin
    • Proceedings of the Korea Institute of Fire Science and Engineering Conference
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    • 2008.04a
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    • pp.337-340
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    • 2008
  • Smoke composed of harmful gases such as carbon monocide and carbon dioxide is reconized as the major killer in fire situation. Especailly it is said that smoke movement is related to the panic phenomenon which threatens the life seriously. The purpose of this study is to investgate and analyse the reaction mechanism of harmful gas caused by fire effects on the human psychology and panic phenomenon.

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Mechanism for Chemiluminescent Reactions of Bis(2,4,6-trichlorophenyl)oxalate, Hydrogen Peroxide and Fluorescent Aromatic Hydrocarbons

  • Song Hyung-Soo;Shin Hyung Seon;Kim Kang-Jin
    • Bulletin of the Korean Chemical Society
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    • v.9 no.1
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    • pp.17-21
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    • 1988
  • A mechanistic study on the chemiluminescence resulting from the reaction between bis(2,4,6-trichlorophenyl)oxalate(TCPO) and hydrogen peroxide in the presence of fluorescent polycyclic aromatic hydrocarbons in a viscous phthalate medium has been conducted. The rate determining step, decay rate constants, and relative quantum efficiencies yielded by varying the concentration of reagents generally support an existing mechanism. However, a reaction between TCPO and sodium salicylate was not observed.

Structure-Reactivity Relationship of Benzyl Benzenesulfonates. Part 4. Application of Correlation Interaction Coefficients

  • 여수동;정덕영;박종환;김성홍;황규탁
    • Bulletin of the Korean Chemical Society
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    • v.19 no.4
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    • pp.434-436
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    • 1998
  • The mechanism of nucleophilic displacement was studied by using three variable systems of ${\rho}_X,\; {\rho}_Y,\; and {\rho}_Z$ obtained from the change of substituent X, Y, and Z for the reaction of (Z)-substituted benzyl (X)-benzensulfonates with (Y)-substituted thiobenzamides in acetone at 45 ℃. The results ${\rho}_Z$<0 and ${\rho}_YZ$>${\rho}_XZ$ indicate that this reaction series proceeded via a dissociative $S_N2$ mechanism. The prediction of the movement of TS by using the sign of ${\rho}_XZ{\cdot}{\rho}_{YZ}$ accorded with the Hammond postulate.

Hydrothermal Kinetics and Mechanisms of Lime and Quartz Used Solid State Reaction Equations (고상반응식을 이용한 석회-석영의 수열반응속도와 반응메카니즘)

  • Lim, Going
    • The Journal of Engineering Research
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    • v.3 no.1
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    • pp.223-233
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    • 1998
  • The kinetic and mechanism of the hydrothermal reaction between lime and quartz used solid state reaction equations have been investigated. Hydrothermal reaction on the starting materials was carried out in an autoclave that quartz mixed with calcium hydroxide in CaO/$SiO_2$ ratio of 0.8-1.0 for 0.5-8 hour at saturated steam pressure of $180-200^{\circ}C$. The rate of reaction was given from the ratio of uncombined lime and quartz content to the total lime and quartz content. The rate of reaction was obtained the results by the Jander's equation $[1-(1-\alpha)^{1/3}]^N=Kt$. The reaction of lime is controlled mainly by the dissolution such as N=1, and the reaction of quartz is controlled mostly by the diffusion such as $N\risingdotseq2$. The rate of hydrothermal reaction in the calcium silicate hydrates system is suggested to be determined generally by the mass transfer through the product laver formed around the reactant particles. The rate equation for whole hydrothermal reaction is shown that it is converted into the rate determining step by the diffusion from the boundary reaction such as approximately $N=1-2$.

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Mechanism of DNA Cleavage Induced by Fe2+ Autoxidation

  • Kim, Jong-Moon;Kim, Seog-K.
    • Bulletin of the Korean Chemical Society
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    • v.32 no.3
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    • pp.964-972
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    • 2011
  • This work investigated the difference between $Fe^{2+}$ autoxidation-induced and Fenton-type cleavage of pBR322 plasmid DNA. $^{\cdot}OH$ generation reactions in the absence and presence of $H_2O_2$ under various conditions were also investigated. Although both the $Fe^{2+}$ autoxidation and Fenton-type reactions showed DNA cleavage and $^{\cdot}OH$ generation, there were significant differences in their efficiencies and reaction rates. The rate and efficiency of the cleavage reaction were higher in the absence of 1.0 mM of $H_2O_2$ than in its presence in 20 mM phosphate buffer. In contrast, the $^{\cdot}OH$ generation reaction was more prominent in the presence of $H_2O_2$ and showed a pH-independent, fast initial reaction rate, but the rate was decreased in the absence of $H_2O_2$ at across the entire tested pH range. Studies using radical scavengers on DNA cleavage and $^{\cdot}OH$ generation reactions in both the absence and presence of $H_2O_2$ confirmed that both reactions spontaneously involved the active oxygen species $^{\cdot}OH$, ${O_2}^{\cdot-}$, $^1O_2$ and $H_2O_2$, indicating that a similar process may participate in both reactions. Based on the above observations, a new mechanism for the $Fe^{2+}$ autoxidation-induced DNA cleavage reaction is proposed.

Kinetic Studies on the Reaction of the Heterobimetallic Anion, $(OC)_5CrMn(CO)_5{^-}M^+\;(M^+=Na^+,\;PPN^+)$ with Allyl Bromide

  • Park, Yong K.;Kim, Gyu S.;Song, Gwan O.
    • Bulletin of the Korean Chemical Society
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    • v.16 no.4
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    • pp.310-315
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    • 1995
  • The heterobimetallic anion, (OC)5CrMn(CO)5-M+ (M+=Na+, PPN+), which has a donor-acceptor metal-metal bond1, was reacted with allyl bromide to yield BrCr(CO)5- and Mn(CO)5(CH2CHCH2). The reaction mechanism has been proposed in terms of the consecutive reaction pathway in which Cr(CO)5(THF) is an important intermediate leading to the corresponding product. Counterion effect on this reaction was also evaluated and the results were compared with those of the corresponding reaction of the mononuclear carbonyl anion, Mn(CO)5-.

DGEBA-MDA-SN-Hydroxyl Group System and Composites -Cure Kinetics and Mechanism in DGEBA/MDA/SN/HQ System- (DGEBA-MDA-SN-Hydroxyl계 복합재료의 제조 -DGEBA-MDA-SN-HQ계의 경화반응 속도론 및 메카니즘-)

  • Shim, Mi-Ja;Kim, Sang-Wook
    • Applied Chemistry for Engineering
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    • v.5 no.3
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    • pp.517-523
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    • 1994
  • The effects of cure kinetics and mechanism of DGEBA(diglycidyl ether of bisphenol A)/MDA(4,4'-methylene dianiline) with SN(succinonitrile) and HQ(hydroquinone) as an additive and accelerator were investigated. Cure kinetics was evaluated by Kissinger equation and fractional-life method through DSC analysis. The activation energy has hydroxyl group as an accelerator, the activation energy and the starting cure-temperature were lower than those of DGEBA/MDA/SN system. Cure mechanism of those systems was investigated through FT-IR according to the various SN contents. The ratio was SN : HQ = 4 : 1. It has been known that the cure reactions of an epoxy-diamine system are composed of primary amine-epoxy reaction, secondary amino-epoxy reaction and epoxy-hydroxyl group reaction. But in DGEBA/MDA/SN system, primary amino-CN group reaction and CN group-hydroxyl group reaction were added to the above mentioned reactions. These reactions attributed to the long main chain and the low crossliking density. And in DGEBA/MDA/SN/HQ system, hydroxyl group of HQ formed a transition state with epoxide group and amime group and also opened the ring of the epoxide group rapidly, then amino-epoxy reaction took place easily.

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Synthesis of TiO2 Fine Powder by Sol-Gel Process and Reaction Mechanism(I): Hydrolysis of Titanium Isopropoxide (졸-겔법에 의한 TiO2 미분말 합성과 반응메카니즘(I): Titanium isopropoxide의 가수분해)

  • Myung, Jung-Jae;Chung, Yong-Sun;Kyong, Jin-Bum;Kim, Ho-Kun
    • Applied Chemistry for Engineering
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    • v.7 no.4
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    • pp.794-801
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    • 1996
  • $TiO_2$ fine powders were synthesized via hydrolysis reaction of titanium isopropoxide in isopropanol solvent and the reaction rates were studied by use of UV spectroscopic method. The reactions were controlled to proceed to pseudo-first-order reaction in the presence of excess water in isopropanol solvent. The rate constants which varied with temperature and concentration of water were calculated by Guggenheim method. Reactions using $D_2O$ were also carried out to determine the catalytic character of water. n value of water molecules in transition state and the thermodynamic parameters showed that the reaction proceeded by $S_N2$ mechanism. $TiO_2$ powders synthesized in this reaction were almost spheric forms and had average particle size of $0.3{\mu}m$ diameter.

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Growth mechanism of InP and InP/ZnS synthesis using colloidal synthesis (반응 용기법을 이용한 InP/ZnS 양자점 합성과정에서 InP 코어의 성장기구)

  • Seo, Han wook;Jeong, Da-woon;Lee, Bin;Hyun, Seoung kyun;Kim, Bum Sung
    • Journal of Powder Materials
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    • v.24 no.1
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    • pp.6-10
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    • 2017
  • This study investigates the main growth mechanism of InP during InP/ZnS reaction of quantum dots (QDs). The size of the InP core, considering a synthesis time of 1-30 min, increased from the initial 2.56 nm to 3.97 nm. As a result of applying the proposed particle growth model, the migration mechanism, with time index 7, was found to be the main reaction. In addition, after the removal of unreacted In and P precursors from bath, further InP growth (of up to 4.19 nm (5%)), was observed when ZnS was added. The full width at half maximum (FWHM) of the synthesized InP/ZnS quantum dots was found to be relatively uniform, measuring about 59 nm. However, kinetic growth mechanism provides limited information for InP / ZnS core shell QDs, because the surface state of InP changes with reaction time. Further study is necessary, in order to clearly determine the kinetic growth mechanism of InP / ZnS core shell QDs.