• Title/Summary/Keyword: Electronegativity

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Molecular Switching Coordination Polymers. 4.4'-Chalcogenobispyridine Bridged Cobalt Benzoquinone Complexes

  • 조두환;정종화;여환진;손윤수;정옥상
    • Bulletin of the Korean Chemical Society
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    • v.16 no.6
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    • pp.504-507
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    • 1995
  • The reaction of Co2(CO)8 with 3,6-di-tert-butyl-1,2-benzoquinone in the presence of the respective 4,4'-chalcogenobispyridine results in the coordination polymers of [CoⅢ(4,4'-X(Py)2)(DBSQ)(DBCat)]n (X=S, Se, Te; Py=pyridine; DBSQ=3,6-di-tert-butylsemiquinone; DBCat=3,6-di-tert-butylcatechol). The title compounds undergo an intramolecular Cat → Co electron transfer, and thus change toward the [CoⅡ(4,4'-X(Py)2)(DBSQ)2]n at elevated temperature. The temperature-switching properties of the compounds directly depend upon the electronegativity of the chalcogen atom of the 4,4'-chalcogenobispyridine coligands. The spectroscopic data disclose that the properties of [CoⅢ(4,4'-S(Py)2)(DBSQ)(DBCat)]n and [CoⅢ(4,4'-Se(Py)2)(DBSQ)(DBCat)]n are similar each other in contrast to those of [CoⅢ(4,4'-Te(Py)2)(DBSQ)(DBCat)]n.

The Importance of Halogen Bonding: A Tutorial

  • Cho, Seung Joo
    • Journal of Integrative Natural Science
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    • v.5 no.3
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    • pp.195-197
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    • 2012
  • Halogen atoms in a molecule are traditionally considered as electron donors, since they have unshared electrons. Normally when they are bonded, there are three lone pair electrons. These lone pairs can function as Lewis bases. However, when they are bound to electron withdrawing groups, they can act as Lewis acids. Since the situation is similar hydrogen bonding (HB), this type of interaction is named as halogen bonding (XB). This mainly comes from the uneven distribution of electron density around the halogen atoms. Since the electron density around halogen atom opposite to ${\sigma}$-bond is depleted, its electropositive region is called ${\sigma}$-hole. This ${\sigma}$-hole can attract halogen bond acceptors, requiring more stringent directionality compared to HB. Since this interaction mainly comes from electrostatic origin, the geometry tends to be linear. Since the XB energy is comparable to corresponding HB. Still in its infancy, XB shows a broad range of applicability, with potentially more useful properties, compared to corresponding HB.

Arylation of Styrene by Palladium Acetate-Phosphine Complexes

  • 황박영애;황성원
    • Bulletin of the Korean Chemical Society
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    • v.18 no.2
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    • pp.218-221
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    • 1997
  • When phenylation of styrene was carried out in the presence of Pd(OAc)2 and PPh3 in benzene, trans-stilbene was obtained in good yield (566%) with high selectivity (98%) under mild condition (55 ℃, 50 psi O2, 20 h). Since trans-stilbene could be produced not only from benzene but also from phenyl group of PPh3 by migration of its phenyl group to Pd, the competitiveness of benzene and the migratory aptitude of aryl group of triarylphosphine toward styrene has been investigated with various phosphines (PR3: P(p-C6H4CH3)3, P(p-C6H4OCH3)3, P(p-C6H4F)3, P(p-C6H4Cl)3, P(C6H5)3, P(C6H11)3, P(OC4H9n)3, P(CH2C6H5)3 and P(C6F5)3). The yield and selectivity toward trans-stilbene are increased as the basicity of the phosphines increases. The composition of arylated olefin from arylphosphine, in turn, increases as the electronegativity of the substituent on the aryl group of arylphosphines increases.

Study of Degradation of Organic matter using prepared Titania by Metal ions substitution process (금속이온 치환법으로 제조된 티타니아를 이용한 유기물 분해에 대한 연구)

  • Lee, Gyu-Hwan;Rhee, Dong Seok
    • Journal of Industrial Technology
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    • v.28 no.A
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    • pp.19-22
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    • 2008
  • In recent years, much attention has been paid to "Photocatalytic oxidation" as an alternative technique, where the pollutants are degraded by UV-irradiation in the presence of a semiconductor suspension such as titanium dioxide. $TiO_2$ is the most often used photocatalyst due to its considerable photocatalytic activity, high stability, non-environmental impact and low cost. 1n this research, the photocatalytic degradation of humic acid, acetaldehyde and methylene blue in $UV/TiO_2$ systems has been stydied. The effect of calcination temperature for manufacturing of $TiO_2$ photocatalysts and type of photocatalysts on photodegradation has been investigated. Photocatalysts with various metal ions(Mn, Fe, Cu and Pt) loading are tested to evaluate the effects of metal ions impurities on photodegradation. The photodegradation efficiency with $Pt-TiO_2$ or $Fe-TiO_2$ or $Cu-TiO_2$ is higher than Degussa P-25 powder. However, the photodegradation efficiency with $Mn-TiO_2$ is lower than Degussa P-25 powder. The photocatalytic properties of the nanocrystals were strongly dependent upon the crystallinity, particle size, standard reduction potential of various transition metal and electronegativity of various transition metal. As a result photocatalysts with various metal ion loading evaluated the effect of photodegradation.

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NH3 Decomposition Reaction for Hydrogen Formation Using Vanadium Carbide Catalysts (바나듐 탄화물 촉매를 이용한 수소생성용 암모니아 분해반응)

  • KIM, JUNG-SU;CHOI, SEONG-SHIN;CHOI, JEONG-GIL
    • Journal of Hydrogen and New Energy
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    • v.31 no.1
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    • pp.1-7
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    • 2020
  • The synthesis and catalytic activities over vanadium carbides were examined for ammonia decomposition reaction to produce the hydrogen. In particular, the comparison of vanadium nitrides were made on the ammonia decomposition reaction. The experimental data exhibited that BET surface areas ranged from 5.2 ㎡/g to 25.6 ㎡/g and oxygen uptake values varied from 3.8 μmol/g to 31.3 μmol/g. It is general that vanadium carbides (VC) were observed to be superior to vanadium nitrides for ammonia decomposition reaction. The primary reason for these differences were thought to be related to the extent of electronegativity between these materials. Most of vanadium carbide crystallites were exceeded by Pt/C crystallite. We assumed that the activities for vanadium carbide crystallites (VC) were comparable to or even higher than that determined for the Pt/C crystallite.

Surface modification characteristics of activated carbon fibers for hydrogen storage (수소저장용 활성탄소섬유의 표면개질 특성)

  • Kim, Shin-Dong;Kim, Ju-Wan;Im, Ji-Sun;Cho, Se-Ho;Lee, Young-Seak
    • Journal of Hydrogen and New Energy
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    • v.17 no.1
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    • pp.47-54
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    • 2006
  • Activated carbon fibers (ACFs) with high surface area and pore volume were modified with metal Ni impregnation and fluorination and investigated hydrogen storage properties by volumetric method. Micropore volume values of ACFs obtained from surface modification with Ni impregnation and fluorination were decreased 9 and 35 %, respectively. Hydrogen storage capacities of fluorinated ACFs were slightly changed, on the other hand, that of Ni impregnated ACF was considerably increased. It means that hydrogen was not only adsorbed on ACF surface, but also on Ni metal surface by means of dissociation. Although the microphone volume of ACF modified with fluorination was decreased, its hydrogen storage were found not to be changed compared with fresh ACF. These results indicated that the surface of ACF after fluorination modification may be strongly attracted hydrogen due to high electronegativity of fluorine. Therefore, it was proven that hydrogen storage capacity was related with micropore volume and surface property of carbon materials as well as specific surface area.

Conversion of Methanol to Hydrocarbons over Heteropoly Acids(I) (헤테로폴리산 촉매에 의한 탄화수소로의 메탄올 전환반응(I))

  • Hong, Seong-Soo;Lee, Ho-In
    • Applied Chemistry for Engineering
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    • v.2 no.4
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    • pp.363-371
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    • 1991
  • The catalytic performance and availability of heteropoly compounds for the conversion of methanol to hydrocarbons have been studied. The effects of reaction conditions such as reaction temperature, methanol partial pressure and residence time and the effects of ion-exchange of the catalysts were examined for enhancing the yield of hydrocarbons and the selectivity of low olefins. Their acid strength depended on the kind of countercation, and the yield of hydrocarbons and the selectivity for propylene to propane were closely related to the electronegativity of the corresponding countercations. In contrast to the other heteropoly compounds, the ammonium salt showed a considerably high catalytic activity and a high selectivity for paraffins to low olefins.

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A Study on the Prediction of the Material Properties of Magnesium Alloys Using Density Functional Theory Method (밀도함수 이론법을 이용한 마그네슘 합금의 재료특성 예측에 관한 연구)

  • Baek, Min-Sook;Won, Dae-Hee;Kim, Byung-Il
    • Korean Journal of Materials Research
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    • v.17 no.12
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    • pp.637-641
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    • 2007
  • The total energy and strength of Mg alloy doped with Al, Ca and Zn, were calculated using the density functional theory. The calculations was performed by two programs; the discrete variational $X{\alpha}\;(DV-X{\alpha})$ method, which is a sort of molecular orbital full potential method; Vienna Ab-initio Simulation Package (VASP), which is a sort of pseudo potential method. The fundamental mixed orbital structure in each energy level near the Fermi level was investigated with simple model using $DV-X{\alpha}$. The optimized crystal structures calculated by VASP were compared to the measured structure. The density of state and the energy levels of dopant elements was discussed in association with properties. When the lattice parameter obtained from this study was compared, it was slightly different from the theoretical value but it was similar to Mk, and we obtained the reliability of data. A parameter Mk obtained by the $DV-X{\alpha}$ method was proportional to electronegativity and inversely proportional to ionic radii. We can predict the mechanical properties because $\Delta{\overline{Mk}}$is proportional to hardness.

The Effect of Gamma-Irradiation on Aqueous Solutions of Triglycine 2. Electrophoretic and Paper Chromatographic Study of Irradiated Triglycine (Triglycine 수용액에 미치는 감마선의 영향 2. Electrophoresis 와 Paper Chromatogrphay 에 의한 연구)

  • LEONE, Charles A
    • The Korean Journal of Zoology
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    • v.7 no.1
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    • pp.1-5
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    • 1964
  • GamnH-irradiated aqueous solutions of triglycine were studied using low voltage electrophoresis, paper chromatography, and determination of carbonyl compound. Four generalizations can be made as follows: 1. One component from irradiated triglycine formed a complex with copper ions and had higher electronegativity than did triglycine. 2. Five components from irradiated triglycine were separated by paper chromatography; of these, two were identified. 3. Carbonyl compound formation in irradiated triglycine increased up to $5{\times}10^{20}\;ev/ml$ and decreased at higher doses up to $1.9{\times}10^{21}\;ev/ml$ indicating its participation in secondary reaction in the complex system. 4. The possibility of hydrolytic brcabtgc of peptide bond was indicated by the separation of glycine from irradiated triglycine.lycine.

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A Study on the Transesterification Reaction Between Methyl Methacylate and Diethanolamine (메틸메타크릴레이트와 디에탄올아민과의 에스테르 교환반응에 관한 연구)

  • Sohn, Byoung-Chung;Park, Keun-Ho;Jeong, Soon-Wook;Nam, Ki-Dae
    • Journal of the Korean Applied Science and Technology
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    • v.3 no.2
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    • pp.41-47
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    • 1986
  • The transesterification reaction between diethanolamine and methyl-methacrylate was kinetically investigated in the presence of various metal acetate catalysts at $120^{\circ}C$. The quantity of methylmethacrylate reacted in the reaction flask was measured by gas chromatography and liquid chromatography, and the reaction rate was investigated by measuring of the quantity of products and reactnts under various catalysts. The transesterification reaction was carried out in the first order reaction kinetics with respect to the concentration of diethanolamine and methylmethacrylate, respectively. The apparent rate constant was found to obey first-order kinetics with respect to the concentration of catalyst. The linear relationship was shown between apparent rate constant and reciprocal absolute temperature, and by the Arrhenius plot, the activation energy has been calculated as 11.08 Kcal with zinc acetate catalyst, 17.99 Kcal without catalyst. The maximum reaction rate was appeared at the range of 1.4 to 1.6 of electronegativity of metal ions and instability constant of metal acetates.