• Title/Summary/Keyword: H atoms

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Two Polymorphs of Structures of $\alpha,\alpha$-Trehalose Octaacetate Monohydrate

  • Park, Young-Ja;Shin, Jung-Mi
    • Bulletin of the Korean Chemical Society
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    • v.14 no.2
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    • pp.200-206
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    • 1993
  • Structures of two polymorphs of ${\alpha},{\alpha}$-trehalose octaacetate monohydrate, $C_{28}H_{38}O_{19}\;{\cdot}\;H_2O$, have been studied by X-ray diffraction method. ${\alpha},{\alpha}$-trehalose (${\alpha}$-D-glucopyranosyl ${\alpha}$-D-glucopyranoside) is a nonreducing disaccharide. The polymorph I belongs to the monoclinic $P2_1$, and has unit cell parameters of a=10.725(l), b=15.110(4), c=11.199(5) ${\AA}$, ${\beta}=108.16(2)^{\circ}$ and Z=2. The polymorph II is orthorhombic $P2_12_12_1$, with a=13.684(4), b=15.802(4), c=17.990(9) ${\AA}$ and Z=4. The final R and R$_w$ values for monoclinic polymorph I are 0.043 and 0.048 and for orthorhombic polymorph II are 0.116 and 0.118, respectively. Those R values of polymorph II are high because the large thermal motions of acetyl groups and the poor quality of the crystal. The molecular conformations in the two polymorphs are similar. Both D-glucopyranosyl rings have chair $^4C_1$ conformations and atoms of glycosidic chain ${\alpha}(1{\rightarrow}1)$ linkage are coplanar. The primary acetate groups of the pyranose residues assume both gauche-trans conformations. The molecules of two polymorphs have pseudo-C$_2$ symmetry at glycosidic O(1) atom. The bond lengths and angles are normal compared with those in other acetylated sugar compounds. The molecules in the monoclinic crystal are held by the hydrogen bonds with the water molecules and by van der Waals forces.

Crystal Structure and Low Temperature Magnetic Properties of Melt-Spun $Sm_{2}Co_{7}B_{3}$ Compound (급냉응고된 $Sm_{2}Co_{3}B_{7}$ 화합물의 결정구조와 저온 자기특성)

  • Yang, C.J.;Lee, W.Y.;Choi, S.D.
    • Journal of the Korean Magnetics Society
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    • v.3 no.4
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    • pp.284-288
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    • 1993
  • Low temperature magnetic properties and crystal structures of melt-spun $Sm_{2}Co_{7}B_{3}$ compound were characterized. The magnetic measurements in the temperature range 77 K~450 K indicated that a spin-reorientation took place at about 150~160 K. A large anisotropy was observed(Ha=135 kOe at 300 K, 725 kOe at 77 K) for $Sm_{2}Co_{7}B_{3}$ although the magnetic moment is rather low. The crystal structure of the $Sm_{2}Co_{7}B_{3}$ compound was analyzed in detail by Rietveld analysis of powder diffraction pattern, and it was revealed that B(4h) atoms are not placed in the Sm(2e) layer but in between the Sm(2e) and Co($6i_{1}$) layers.

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Comparison of Pretreatment Method for the Enhancement of CO2 Mineralogied Sequestration using by Serpentine (이산화탄소 광물고정화 효율 증진을 위한 사문석의 전처리 방법의 비교)

  • Jang, Na-Hyung;Park, Sung-Kwon;Shim, Hyun-Min;Kim, Hyung-Taek
    • Applied Chemistry for Engineering
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    • v.21 no.1
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    • pp.24-28
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    • 2010
  • Since the reaction of mineral fixation proceeds with a very slow rate, the pretreatment method to increases the rate of carbonation reaction should be required. To increase the reactivity of serpentine with $CO_{2}$, two pretreatment methods are performed in this study. The heat treatment is done at $630^{\circ}C$. A heat-treated serpentine shows that the strength of -OH has a lower peak in FT-IR spectrum. Chemical pretreatment is the method of leaching of magnesium from serpentine using sulfuric acid at $75^{\circ}C$ for 1 h. Because the protonation of the oxygen atoms polarizes and weakens the Mg-O-Si bond, the removal of magnesium atoms from the crystal lattice was facilitated. After performing the pre-treatment of serpentine, $CO_{2}$ fixation experiments are performed with treated serpentine in the batch reactor. Heat-treated serpentine is converted into 43% magnesite conversion, whereas untreated serpentine has 27% of magnesite conversion. Although the results of the heat-pretreatment are encouraging, this method is prohibited due to excessive energy consumption. Furthermore chemical pretreatment serpentine routes have been proposed in an effort to avoid the cost prohibitive heat pretreatment, in which the carbonation reaction was conducted at 45 atm and $25^{\circ}C$. Chemical-treated serpentine, in particularly is corresponded to a conversion of 42% of magnesite compared to 24% for the un-treated serpentine.

Physical Properties of Octahedral Iron (Ⅱ) Complexes of Vicinal-Dioximes (팔면체형 철 (Ⅱ) Vicinal-디옥심 착물의 물리적 성질)

  • Chong-Shik Chin;L. Vaska
    • Journal of the Korean Chemical Society
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    • v.24 no.5
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    • pp.380-392
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    • 1980
  • Six coordinate low spin iron(Ⅱ) complexes of vicinal-dioximes, [Fe$(DH)_2B_2$] and [Fe$(DH)_2$B(CO)]($(DH)_2$=$(CHDH)_2$(bis(1,2-cyclohexadinedioximato) bivalent anion), $(DPGH)_2$-(bis(diphenylglyoximato) bivalent anion), $(F{\alpha}DH)_2(bis(furil-{\alpha}-dioximato)$ bivalent anion); B = monodentate neutral nitrogen base), have been prepared and their physical properties have been investigated with respect to the effects of the equatorial ligands, $(DH)_2$. The order of ${\pi}$-acceptor CO stretching frequency for [Fe$(DH)_2$B(CO)] is $(F{\alpha}DH)_2$ > $(DPGH)_2$> $(CHDH)_2$, while non-${\pi}$-acceptor $NH_3$ stretching frequencies for [Fe$(DH)_2(NH_3)_2$] show the opposite order to that of CO, i.e., $(CHDH)_2$ > $(DPGH)_2$ > $(F{\alpha}DH)_2$. These infrared spectral data together with Fe-N (oxime) and Fe-N (oxime) and Fe-N (B) stretching frequency data suggest that the nitrogen atoms of $(CHDH)_2$ are more basic and poorer ${\pi}$-acceptors than the corresponding nitrogen atoms of $(DPGH)_2$ and $(F{\alpha}DH)_2$, respectively. It has been found from the electronic spectral data of [Fe$(DH)_2$] and [Fe$(DH)_2$B(CO)] that the energy of the charge transfer band from iron(Ⅱ) to $(DH)_2$ increases as the basicity of $(DH)_2$ increases.

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Characterization of SiC/C Nanocomposite Powders Synthesized by Arc-Discharge

  • Zhou, Lei;Yu, Jie Yi;Gao, Jian;Wang, Dong Xing;Gan, Xiao Rong;Xue, Fang Hong;Huang, Hao;Dong, Xing Long
    • Applied Microscopy
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    • v.45 no.4
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    • pp.242-248
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    • 2015
  • In this paper, three carbon sources, i.e., solid graphite, gaseous CH4 and liquid ethanol, and one solid silicon source were employed to synthesize SiC/C nanocomposite powders by arc-discharge plasma. The processing conditions such as the component ratios of raw materials, atmospheric gases, etc. were adjusted for controllable synthesis of the nanopowders. It is indicated that both of solid graphite and silicon can be co-evaporated and reacted to form nanophases of cubic ${\beta}$-SiC with ~50 nm in mean size and a little free graphite; the carbon atoms decomposed from gaseous $CH_4$ favor to combine with the evaporated silicon atoms to form the dominant SiC nanophase; liquid carbon source of ethanol can also be used to harvest the main ${\beta}$-SiC and minor 6H-SiC phases in the assembly of nanoparticles. The as-prepared SiC/C nanocomposite powders were further purified by a heat-treatment in air and their photocatalytic performances were then greatly improved.

Spin and Pseudo Spins in Theoretical Chemistry. A Unified View for Superposed and Entangled Quantum Systems

  • Yamaguchi, Y.;Nakano, M.;Nagao, H.;Okumura, M.;Yamanaka, S.;Kawakami, T.;Yamaki, D.;Nishino, M.;Shigeta, Y.;Kitagawa, Y.;Takano, Y.;Takahata, M.;Takeda, R.
    • Bulletin of the Korean Chemical Society
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    • v.24 no.6
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    • pp.864-880
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    • 2003
  • A unified picture for magnetism, superconductivity, quantum optics and other properties of molecule-based materials has been presented on the basis of effective model Hamiltonians, where necessary parameter values have been determined by the first principle calculations of cluster models and/or band models. These properties of the matetials are qualitatively discussed on the basis of the spin and pseudo-spin Hamiltonian models, where several quantum operators are expressed by spin variables under the two level approximation. As an example, ab initio broken-symmetry DFT calculations are performed for cyclic magnetic ring constructed of 34 hydrogen atoms in order to obtain effective exchange integrals in the spin Hamiltonian model. The natural orbital analysis of the DFT solution was performed to obtain symmetry-adapted molecular orbitals and their occupation numbers. Several chemical indices such as information entropy and unpaired electron density were calculated on the basis of the occupation numbers to elucidate the spin and pair correlations, and bonding characteristic (kinetic correlation) of this mesoscopic magnetic ring. Both classical and quantum effects for spin alignments and singlet spin-pair formations are discussed on the basis of the true spin Hamiltonian model in detail. Quantum effects are also discussed in the case of superconductivity, atom optics and quantum optics based on the pseudo spin Hamiltonian models. The coherent and squeezed states of spins, atoms and quantum field are discussed to obtain a unified picture for correlation, coherence and decoherence in future materials. Implications of theoretical results are examined in relation to recent experiments on molecule-based materials and molecular design of future molecular soft materials in the intersection area between molecular and biomolecular materials.

Superconducting Properties of Mg(B1-xCx)2 Bulk Synthesized Using Magnesium and Glycerin-treated Boron Powder (마그네슘과 글리세린 처리한 붕소 분말로 합성한 Mg(B1-xCx)2의 초전도 특성)

  • Kim, Yi-Jeong;Jun, Byung-Hyuk;Park, Soon-Dong;Tan, Kai Sin;Kim, Bong-Goo;Sohn, Jae-Min;Kim, Chan-Joong
    • Journal of Powder Materials
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    • v.15 no.3
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    • pp.182-187
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    • 2008
  • Carbon was known to be one of effective additives which can improve the flux pinning of $MgB_2$ at high magnetic fields. In this study, glycerin $(C_3H_8O_3)$ was selected as a chemical carbon source for the improvement of critical current density of $MgB_2$. In order to replace some of boron atoms by carbon atoms, the boron powder was heat-treated with liquid glycerin. The glycerin-treated boron powder was mixed with an appropriate amount of magnesium powder to $MgB_2$ composition and the powder pallets were heat treated at $650^{\circ}C\;and\;900^{\circ}C$ for 30 min in a flowing argon gas. It was found that the superconducting transition temperature $(T_c)$ of $Mg(B_{1-x}C_x)_2$ prepared using glycerin-treated boron powder was 36.6 K, which is slightly smaller than $T_c$(37.1 K) of undoped $MgB_2$. The critical current density $(J_c)$ of $Mg(B_{1-x}C_x)_2$ was higher than that of undoped $MgB_2$ and the $T_c$ improvement effect was more remarkable at higher magnetic fields. The $T_c$, decrease and $J_c$ increase associated with the glycerin treatment for boron powder was explained in terms of the carbon substitution to boron site.

하계 경기만의 수질오염과 생산력에 관한 연구 1

  • 이민재;홍순우;하영칠
    • Korean Journal of Microbiology
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    • v.10 no.3
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    • pp.97-104
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    • 1972
  • The extent of water pollution was investigated at 4 stations in Kyonggi Bay during the summer seasons in 1970 and 1971. The concentrations of dissolved oxygen, total hardness, ammonia, nitrate, nitrite, phosphate, chemical oxygen demand, salinity, biochemical oxygen demand, coliform bacteria and facel coli were examined together with the measurement of pH and transparency. The relationship between the extent of pollution and the distance from the Inchon Bay also was examined. The concentrations of biochemical oxygen demand, chemical oxygen demand, ammonia, nitrate, nitrite, phosphate, coliform bacteria nad fecal coli were all highest at station 1, and lowest at station 4. Values were somewhat higher at low tide level in general. On the contrary, dissolved oxygen concentration was highest at station 4 and lowest at station 1. The highest and lowest values of biochemical oxygen demand were 10.88 ppm at station 1 and 0.27 ppm at station 4. The chemical oxygen demand concentrations at station 1 and 4 were 1.90 ppm and 0.63 ppm. Ammonia concnetration at station 1 was 0.43 pp, and was nearly 5 times as much as that at station 4. The values were $2.45{\times}10^{-4}$ ppm at station 1, and $6{\times}10^{-4}$ ppm at station 4. Nitrite concnetration at station 1 was $3{\times}10^{-4}$ppm and was the highest, while the lowest was $9.45{\times}10^{-5}$ ppm at station 4. Phosphate value at station 1 too was the highest and was about 4 times as much as that at station 4. Coliform bacteria were most abundant at station 1, and were counted to be 1.$1.7{\times}10^{-5}$cells/ml. At station 4, the number greatly reduced to 8 * 10$^{2}$ cells/ml. The number of fecal coli at station 1 was $2{\times}10^{-4}$ cells/ml. But at station 4, no fecal coli was detected at high tide level. At low tide level, 3 cells/ml were counted at station 4. In all of these, the highest data were obtained at low tide level, while most of the lowest value, at high tide level. Generally, values at statio 1 were 3-5 times as much as those at station 4. Concentration of dissolved oxygen at station 1 was 0.366 mg-atoms/1 and was the lowest. The highest value was 0.420 mg-atoms/1 and was recorded at station 4. The highest at station 4, which certainly were believed to be the result of the dilution by the fresh water of the Han river flowing into the Inchon Bay. As we can see from the data above, the extent of pollution was highest at station 1, the nearest from Inchon harbor, and lowest at station 4, where is the farthest, Station 1 and 2 were proved to be much polluted, but station 3 and 4, not.

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Formation of a MnSixOy barrier with Cu-Mn alloy film deposited using PEALD

  • Moon, Dae-Yong;Hwang, Chang-Mook;Park, Jong-Wan
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.229-229
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    • 2010
  • With the scaling down of ultra large integrated circuits (ULSI) to the sub-50 nm technology node, the need for an ultra-thin, continuous and conformal diffusion barrier and Cu seed layer is increasing. However, diffusion barrier and Cu seed layer formation with a physical vapor deposition (PVD) method has become difficult as the technology node is reduced to 30 nm and beyond. Recent work on self-forming barrier processes using PVD Cu alloys have attracted great attention due to the capability of conformal ultra-thin barrier formation using a simple technique. However, as in the case of the conventional barrier and Cu seed layer, PVD of the Cu alloy seed layer will eventually encounter the difficulty in conformal deposition in narrow line trenches and via holes. Atomic layer deposition (ALD) has been known for its good step coverage and precise thickness control, and is a candidate technique for the formation of a thin conformal barrier layer and Cu seed layer. Conformal Cu-Mn seed layers were deposited by plasma enhanced atomic layer deposition (PEALD) at low temperature ($120^{\circ}C$), and the Mn content in the Cu-Mn alloys were controlled form 0 to approximately 10 atomic percent with various Mn precursor feeding times. Resistivity of the Cu-Mn alloy films decreased by annealing due to out-diffusion of Mn atoms. Out-diffused Mn atoms were segregated to the surface of the film and interface between a Cu-Mn alloy and $SiO_2$, resulting in self-formed $MnO_x$ and $MnSi_xO_y$, respectively. No inter-diffusion was observed between Cu and $SiO_2$ after annealing at $500^{\circ}C$ for 12 h, indicating an excellent diffusion barrier property of the $MnSi_xO_y$. The adhesion between Cu and $SiO_2$ was enhanced by the formation of $MnSi_xO_y$. Continuous and conductive Cu-Mn seed layers were deposited with PEALD into 32 nm $SiO_2$ trench, enabling a low temperature process, and the trench was perfectly filled using electrochemical plating (ECD) under conventional conditions. Thus, it is the resultant self-forming barrier process with PEALD Cu-Mn alloy film as a seed layer for plating Cu that has further potential to meet the requirement of the smaller than 30 nm node.

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The Crystal and Molecular Structure of Acetone 4-Benzylthiosemicarbazone (Acetone 4-Benzylthiosemicarbazone의 결정 및 분자구조)

  • Park Young Ja;Ahn Choong Tai
    • Journal of the Korean Chemical Society
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    • v.29 no.2
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    • pp.73-79
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    • 1985
  • The crystal and molecular structure of acetone 4-benzylthiosemicarbazone, $C_{11}H_{15}N_3S$, has been determined by the single crystal X-ray diffraction methods. The crystals are monoclinic, space group $P2_1/c$ with unit cell dimensions, a = 10.249(7), b = 11.403(9), c = 10.149(7)TEX>${\AA}$, ${\beta}$ = 90.9$(1)^0$ and z = 4. The intensities were collected on an automatic four-circle diffractometer with graphite-monochromated Mo-$K_{\alpha}$ radiation. The structure was solved by direct methods and refined by full matrix least-squares methods. The final R was 0.045 for 1554 observed reflections. S-C(8)-N(2)-N(3)-C(9)-C(10) atoms make a zigzag planar chain. There are no unusual bond lengths and angles. There are two independent hydrogen bonds in the crystal structure. One is N-H${\cdots}$S intermolecular hydrogen bond with the length of 3.555${\AA}$ and makes dimer-like units. The other is N-H${\cdots}$N intramolecular hydrogen bond with the length of 2.568${\AA}$. The structure was compared with those of other thiosemicarbazone derivatives.

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