• Title/Summary/Keyword: H atoms

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Kinetic and Equilibrium Studies on Complex Formation Between Ni(II) and D-Penicillamine in Aqueous Media (Ni(II)와 D-Penicillamine과의 착물형성반응에 대한 속도론적 및 평형에 관한 연구)

  • Yong-Kyu Kim;Sung-Nak Choi
    • Journal of the Korean Chemical Society
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    • v.30 no.5
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    • pp.475-482
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    • 1986
  • Rates and equilibriurn of complex formation between $Ni^{2+}$ and D-penicillamine have been investigated in aqueous solutions. Kinetic study on the complex formation were performed in the pH range of 8∼9 by the use of pressure-jump technique. D-Penicillamine coordinates to the nickel(II) ion utilizing sulfur and nitrogen as donor atoms in the high pH condition (pH 9.2). However, in the pH range of 8.25∼9.07, the stepwise stability constant becomes drastically reduced and the undissociated mercapto group does not participate in bonding. The rate-determining step of the complexation reaction is found to be the release of a water molecule from the inner-coordination sphere of $Ni^{2+}$ ion.

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Unusual Non-magnetic Metallic State in Narrow Silicon Carbon Nanoribbons by Electron or Hole Doping

  • Lou, Ping;Lee, Jin-Yong
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.763-769
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    • 2012
  • We investigated the width (N) dependence on the magnetization of N-ZSiC NR with electron and hole doping on the basis of systematic DFT calculations. The critical values of the upper and down critical concentration to give the maximum and zero magnetic moment at edge Si/C atoms by electron/hole doping ($x_{up,e}$, $x_{down,e}$, $x_{up,h}$, and $x_{down,h}$) depend on the width of N-ZSiC NR. Moreover, due to $x_{up,e}\;{\neq}\;x_{up,h}$ and $x_{down,e}\;{\neq}\;x_{down,h}$, the electron and hole doping effect are asymmetry, i.e, the critical electron doping value ($x_{down,e}$) is smaller than the critical hole doping value ($x_{down,h}$) and is almost independent of the width of NZSiC NR though the other critical values of the electron and hole doping that influence the magnetization of N-ZSiC NR depend on the width. It was also found that at $x_{down,e}$ or $x_{down,h}$ doping, the N-ZSiC NR turns into unusual non-magnetic metallic state. The magnetic behavior was discussed based on the band structures and projected density of states (PDOS) under the effect of electron/hole doping.

The distribution of the molecular hydrogen in the Milky way

  • Jo, Young-Soo;Seon, Kwang-Il;Min, Kyoung-wook
    • The Bulletin of The Korean Astronomical Society
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    • v.41 no.2
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    • pp.40.1-40.1
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    • 2016
  • We present the far-ultraviolet fluorescent molecular hydrogen ($H_2$) emission map observed with FIMS/SPEAR for ~76% of the sky. The fluorescent $H_2$ emission is found to be saturated by strong dust extinction at the optically thick, Galactic plane region. However, the extinction-corrected intensity of fluorescent $H_2$ emission is found to have strong linear correlations with the well-known tracers of the cold interstellar medium, such as the E(B-V) color excess, neutral hydrogen column density N(HI), $H{\alpha}$ emission, and CO $J=1{\rightarrow}0$ emission. The all-sky molecular hydrogen column density map is also obtained using a photodissociation region model. We also derive the gas-to-dust ratio, hydrogen molecular fraction ($f_{H2}$), and $CO-to-H_2$ conversion factor ($X_{CO}$) of the diffuse interstellar medium. The gas-to-dust ratio is consistent with the standard value $5.8{\times}10^{21}atoms\;cm^{-2}mag^{-1}$, and the $X_{CO}$ tends to increase with E(B-V), but converges to the Galactic mean value $1.8{\times}10^{20}cm^{-2}K^{-1}km^{-1}s$ at optically thick regions with E(B-V)>2.0.

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Hydrogen-storage Properties of CoO-Added Mg by Reactive Grinding (반응성분쇄에 의해 CoO를 첨가한 Mg의 수소저장특성)

  • Song, Myoungyoup;Lee, Dongsub
    • Transactions of the Korean hydrogen and new energy society
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    • v.14 no.4
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    • pp.321-326
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    • 2003
  • We tried to improve the $H_2$-sorption properties of Mg by mechanical grinding under $H_2$ (reactive grinding) with CoO. The sample Mg+10wt.%CoO as prepared absorbs 1.25wt.% hydrogen and the activated sample absorbs 2.39wt.% hydrogen for 60min at 598K, $11.2barH_2$. The reactive grinding of Mg with CoO increases the $H_2$-sorption rates by facilitating nueleation(by creating defects on the surface of the Mg particles and by the additive), by making cracks on the surface of Mg particles and reducing the particle size of Mg and thus by shortening the diffusion distances of hydrogen atoms. Hydriding-dehydriding cycling increases the $H_2$-sorption rates by making cracks on the surface of Mg particles and reducing the particle size of Mg.

Two Novel 3-D Zinc Compounds with Mixture Ligands of H3BTB and 4,4'-Bipy: Crystal Structures, Blue Fluorescence and Single Point Energy Calculation

  • Zhang, Xiu-Cheng;Xu, Ling;Liu, Wen-Guang;Liu, Bing
    • Bulletin of the Korean Chemical Society
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    • v.31 no.9
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    • pp.2598-2602
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    • 2010
  • Two 3-D zinc framework compounds, $[Zn_6(BTB)_4(4,4'-bipy)_4(H_2O)_4]{\cdot}9H_2O$ (1) and $[Zn_3(BTB)_2(4,4'-bipy)_2(H_2O)_2]{\cdot}5H_2O$ (2) ($H_3BTB$ = 1,2,3-benzenetricarboxylic acid, 4,4'-bipy = 4,4'-bipyridine), are obtained from the diffusion method and hydrothermal reaction respectively. Though 1 and 2 has the same coordination geometries of zinc atoms and coordination mode of $BTB^{3-}$, their 2-D layers are different: mirror symmetric layers in 1; parallel ones in 2, further connecting by 4,4'-bipy into 3-D frameworks. The hydrothermal reaction of 2 results in a more stable 3-D framework than the one in 1, which is supported by the single point energy calculations. 1 and 2 show similar blue fluorescence at 417 nm, which can be assigned to LMCT.

Hydrogen Storage Property Comparison of Pure Mg and Iron (III) Oxide-Added Mg Prepared by Reactive Mechanical Grinding

  • Song, Myoung Youp;Kwon, Sung Nam;Park, Hye Ryoung
    • Korean Journal of Metals and Materials
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    • v.50 no.5
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    • pp.383-387
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    • 2012
  • The activation of Mg-10 wt%$Fe_2O_3$ was completed after one hydriding-dehydriding cycle. Activated Mg-10 wt%$Fe_2O_3$ absorbed 5.54 wt% H for 60 min at 593 K under 12 bar $H_2$, and desorbed 1.04 wt% H for 60 min at 593 K under 1.0 bar $H_2$. The effect of the reactive grinding on the hydriding and dehydriding rates of Mg was weak. The reactive grinding of Mg with $Fe_2O_3$ is believed to increase the $H_2$-sorption rates by facilitating nucleation (by creating defects on the surface of the Mg particles and by the additive), by making cracks on the surface of Mg particles and reducing the particle size of Mg and thus by shortening the diffusion distances of hydrogen atoms. The added $Fe_2O_3$ and the $Fe_2O_3$ pulverized during mechanical grinding are considered to help the particles of magnesium become finer. Hydriding-dehydriding cycling is also considered to increase the $H_2$-sorption rates of Mg by creating defects and cracks and by reducing the particle size of Mg.

Influence of Variation of Aging Heat Treatment Condition on Phase Transformation and Mechanical Properties of 15-5PH Stainless Steel (15-5PH 스테인리스강의 시효열처리 조건변화가 상변태 및 기계적 성질에 미치는 영향)

  • Kim, T.S.;Lee, Jewon;Roh, Y.S.;Sung, J.H.;Lim, S.G.
    • Journal of the Korean Society for Heat Treatment
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    • v.32 no.5
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    • pp.212-223
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    • 2019
  • This study is to investigate the relationship between microstructural factors and tensile properties after aging heat treatment of the 15-5PH stainless steel at the temperature range of $450^{\circ}C$, $500^{\circ}C$ and $550^{\circ}C$ for various time. For the aging time of 2 hours, hardness showed maximum at $450^{\circ}C$ and then decreased with increasing aging temperature. While, hardness decreased gradually during aging $450^{\circ}C$, $500^{\circ}C$ and $550^{\circ}C$ from 1 hour to 5 hours but the hardness nearly unchanged until the 100 hours after 5 hours aging. When aging at $450^{\circ}C$, Cu atoms preferentially aggregated at the prior austenite grain boundaries and martensite lath boundaries, and Cu concentration at those boundaries was nearly unchanged even after aging for 100 hours. Therefore it was suggested that the coherency is still maintained after 100 hours aging at $450^{\circ}C$. Aging at $500^{\circ}C$ and $550^{\circ}C$ results in an increase in the concentration of Ni at the martensite lath boundaries and prior austenite grain boundaries, resulting in the formation of reversed austenite. Especially, when aged at $550^{\circ}C$ for 100 hours, the concentration of Ni remarkably increased at those boundaries, and thus the microstructure of herring bone shape was appeared. Considering the migration of Ni atom to the lath boundaries and prior austenite grain boundaries, Ni atoms contributed greatly to the formation of reversed austenite. On the other hand, it was found that Cu atoms hardly moving to those boundaries may not be contributed to the formation of reversed austenite. When aging at $450^{\circ}C$, the coarsening of the precipitated Cu atoms proceeded very slowly with increasing aging time, therefore the decrease in strengths were small but the reduction area was considerably increased due to the softening of the matrix. At the aging temperature of $500^{\circ}C$ and $550^{\circ}C$, the strengths decreased and the elongation and reduction area increased due to the appearance of the reversed austenite. Especially, the increase of reduction area was remarkable.

Dry cleaning for metallic contaminants removal after the chemical mechanical polishing (CMP) process (Chemical Mechnical Polishing(CMP) 공정후의 금속오염의 제거를 위한 건식세정)

  • 전부용;이종무
    • Journal of the Korean Vacuum Society
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    • v.9 no.2
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    • pp.102-109
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    • 2000
  • It is difficult to meet the cleanliness requirement of $10^{10}/\textrm{cm}^2$ for the giga level device fabrication with mechanical cleaning techniques like scrubbing which is widely used to remove the particles generated during Chemical Mechanical Polishing (CMP) processes. Therefore, the second cleaning process is needed to remove metallic contaminants which were not completely removed during the mechanical cleaning process. In this paper the experimental results for the removal of the metallic contaminants existing on the wafer surface using remote plasma $H_2$ cleaning and UV/$O_3$ cleaning techniques are reported. In the remote plasma $H_2$ cleaning the efficiency of contaminants removal increases with decreasing the plasma exposure time and increasing the rf-power. Also the optimum process conditions for the removal of K, Fe and Cu impurities which are easily found on the wafer surface after CMP processes are the plasma exposure time of 1min and the rf-power of 100 W. The surface roughness decreased by 30-50 % after remote plasma $H_2$ cleaning. On the other hand, the highest efficiency of K, Fe and Cu impurities removal was achieved for the UV exposure time of 30 sec. The removal mechanism of the metallic contaminants like K, Fe and Cu in the remote plasma $H_2$ and the UV/$O_3$ cleaning processes is as follows: the metal atoms are lifted off by $SiO^*$ when the $SiO^*$is evaporated after the chemical $SiO_2$ formed under the metal atoms reacts with $H^+ \; and\; e^-$ to form $SiO^*$.

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The Thermodynamics of the Formation of Polymethylbenzene-Halogens Charge Transfer Complexes (III) (폴리메틸벤젠과 할로겐 사이의 전하이동착물 생성에 관한 열역학적 연구 (제3보))

  • Oh Cheun Kwun;Jin Burm Kyong;Jung Sung Kim
    • Journal of the Korean Chemical Society
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    • v.25 no.6
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    • pp.351-360
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    • 1981
  • Ultraviolet spectrophotometric investigations have been carried out on the system of durene with iodine, bromine, iodine monochloride and iodine monobromide in carbon tetrachloride. The results reveal the formation of the charge transfer complexes of the type, $C_6H_2(CH_3)_4{\cdot}X_2$ or $C_6H_2(CH_3)_4{\cdot}IX$(X denotes halogen atoms). The equilibrium constant were obtained in consideration of that absorption maxima due to the formation of the charge transfer complexes shift to blue with the increasing temperatures. The thermodynamic parameters, ${\Delta}H,\;{\Delta}G\;and\;{\Delta}S$ for the formation of the charge transfer complexes were calculated from these values. These results indicate that the relative stabilities of the durene complexes at each temperature decrease in the order, $ICl>IBr>I_2>Br_2$. This order may be a measure of their relative acidities toward durene, which is explained in terms of the relative polarizabilities of halogen molecules and the relative electronegativities of halogen atoms. These results combined with previous study of this series indicated that the relative stabilities of the polymethylbenzene complexes with iodine increase in the order; Benzene

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The Crystal and Molecular Structure of Sulfadiazine (Sulfadiazine의 結晶 및 分子構造)

  • Shin Hyun So;Ihn Gwon Shik;Kim Hoon Sup;Koo Chung Hoe
    • Journal of the Korean Chemical Society
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    • v.18 no.5
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    • pp.329-340
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    • 1974
  • Sulfadiazine, $C_{10}H_{10}N_4O_2S$, forms monoclinic crystals of space group $P21}c$ from a mixture of acetone and ethanol with $a=13.71{\pm}0.04,\;b=5.84{\pm}0.03,\;c=15.11{\pm}0.05{\AA},\;{\beta}=115.0{\pm}0.3^{\circ}$, and four molecules per cell. Three dimensional photographic data were collected with $CuK\alpha$ radiation. The structure was determined using Patterson and Fourier synthesis methods and refined by block diagonal least-squares methods with isotropic thermal parameter for all non-hydrogen atoms. The final R value was 0.15 for the 1517 observed independent reflections. The dihedral angle between the planes through the benzene ring and the pyrimidine ring is $76^{\circ}$. The conformational angle formed by the projection of the S-C(5) bond with that of N(1)-C(1) where the projection is taken along the S-N(1) bond is $77^{\circ}$. The imino nitrogen atom, N(1), and pyrimidine nitrogen atom, N(3), form intermolecular $N-H{\cdots}N$ hydrogen bond between the molecules related by center of symmetry. Amino nitrogen atom, N(4), forms two intermolecular $N-H{\cdots}O$ hydrogen bonds, with O(1) and O(2) atoms of different molecules separated by b. A two dimensional network of hydrogen bonds form infinite molecular sheets parallel to the (100) plane. Adjacent sheets are bound together by van der Waals forces.

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