• Title/Summary/Keyword: Cu-O bond

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Fracture and Residual Stresses in $Metal/Al_2O_3-SiO_2$ System

  • Soh, D.;Korobova, N.
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2003.11a
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    • pp.308-312
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    • 2003
  • The packaging of the integrated circuits requires knowledge of ceramics and metals to accommodate the fabrication of modules that are used to construct subsystems and entire systems from extremely small components. Composite ceramics ($Al_2O_3-SiO_2$) were tested for substrates. A stress analysis was conducted for a linear work-hardening metal cylinder embedded in an infinite ceramic matrix. The bond between the metal and ceramic was established at high temperature and stresses developed during cooling to room temperature. The calculations showed that the stresses depend on the mismatch in thermal expansion, the elastic properties, and the yield strength and work hardening rate of the metal. Experimental measurements of the surface stresses have also been made on a $Cu/Al_2O_3-SiO_2$ ceramic system, using an indentation technique. A comparison revealed that the calculated stresses were appreciably larger than the measured surface stresses, indicating an important difference between the bulk and surface residual stresses. However, it was also shown that porosity in the metal could plastically expand and permit substantial dilatational relaxation of the residual stresses. Conversely it was noted that pore clusters were capable of initiating ductile rupture, by means of a plastic instability, in the presence of appreciable tri-axiality. The role of ceramics for packaging of microelectronics will continue to be extremely challenging.

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The Crystal and Molecular Structure of Sodium Sulfisoxazole hexahydrate (Sodium Sulfisoxazole Hexahydrate의 결정 및 분자구조와 수소결합에 관한 연구)

  • Young Ja Park;Chung Hoe Koo
    • Journal of the Korean Chemical Society
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    • v.20 no.1
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    • pp.19-34
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    • 1976
  • The crystal structure of sodium sulfisoxazole hexahydrate, $C_{11}H_{12}N_3O_3SNa{\cdot}6H_2O$,has been determined by X-ray diffraction method. The compound crystallizes in the monoclinic space group $$P2_1}c$$ with a = 15.68(3), b = 7.70(2), c = 17.94(4)${\AA}$, ${\beta}$ = $118(2)^{\circ}$ and Z = 4. A total of 1717 observed reflections were collected by the Weissenberg method with $CuK{\alpha}$ radiation. Structure was solved by heavy atom method and refined by block-diagonal least-squares methods to the R value of 0.14. The conformational angle formed by the S-C(l) bond with that of N(2)-C(7), when the projection in taken along the S-N(2), is $73^{\circ}.$ The benzene ring is planar and makes an angle of $60^{\circ}$ with the plane of the isoxazole ring, which is also planar. The sodium atom has a distorted octahedral coordination of N(l) and five oxygen atoms from hydrate molecules. Sodium sulfisoxazole hexahydrate shows fourteen different hydrogen bondings in the crystal. These are six $O-H{\cdots}O-H bonds, three $O-H{\cdots}O$ bonds, two $O-N{\cdots}N,$ one $N-H{\cdots}O,O-H{\cdots}N,N-H{\cdots}O-H$ bond, with the distances in the range of 2.71 to $3.04{\AA}.$.

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Studies on the Characterization of Carboxyl Proteinase in Poria cocos (복령의 Carboxyl Proteinase의 분리 정제 및 그 성질에 관한 연구(II))

  • Min, Tae-Jin;Park, Sang-Shin;Moon, Soon-Ku
    • The Korean Journal of Mycology
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    • v.14 no.2
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    • pp.101-107
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    • 1986
  • The properties of carboxyl proteinase which was contained in Poria cocos (Schw.) Wolf were investigated by means of the purification with 0.65 ammonium sulfate saturation, DEAE cellulose and Sephadex G-75 gel filtration. This enzyme was found to hydrolyze only peptide bond between glutamyl-L-tyrosine of carbobenzoxy-L-glutamyl-L-tyrosine among the synthetic substrates of carbobenzoxy-L-glutamyl-L-tyrosine, hippuryl- L-phenylalanine and hippuryl-L-arginine. This enzyme was inhibited by $Zn^{+2},\;Fe^{+2},\;Ca^{+2},\;CN^{-1},\;P_2O_7^{-4}$ ions, but stimulated by $Hg^{+2}$ ion. Also, this enzyme was inhibited by organic compounds such as L-lysine, L-phenylalanine, hippuryl-L-phenylalanine, diazoacetyl-DL-norleucine methyl ester (DAN) and 1,2-epoxy-3-(P-nitrophenoxy)propane(EPNP). In particular, the activity was inhibited by L-lysine till 20 minutes of preincubation time rapidly, and by DAN in the presence of $Cu^{+2}$ ion more rapidly after 30 minutes than DAN in the absence of $Cu^{+2}$ ion. L-Lysine was found to be a competitive inhibitor and its $K_i$ value was determined to be 0.12 mmole by Dixon plot.

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Crystal Structure of Penicillin V Potassium Salt

  • Kim, Whan-Chul;Yi, Seung-Ho;Shin, Jung-Mi;Yoon, Tae-Sung
    • Bulletin of the Korean Chemical Society
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    • v.14 no.6
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    • pp.713-717
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    • 1993
  • The crystal structure of the potassium salt of penicillin V has been studied by the X-ray crystallographic methods. Crystal data are as follows; potassium 3,3-dimethyl-7-oxo-6-phenoxyacetoamido-4-thia-1- azabicyclo[3.2.0]-heptane-2${\alpha}$-carboxylate, $K^+{\cdot}C_{16}H_{18}N_2O_5S^-$, $M_r$= 388.5, triclinic, Pl, a= 9.371 (1), b= 12.497 (2), c= 15.313 (2) ${\AA},\;{\alpha}= 93.74\;(2),\;{\beta}=99.32\;(1),\;{\gamma}=90.17\;(1)^{\circ},\;V=1765.7\;(2)\;{\AA}^3$, Z=4, $D_m=1.461\;gcm^{-1},\;{\lambda}(Cu\;K{\alpha})=1.5418\;{\AA},\;{\mu}=40.1\;cm^{-1}$, F(000)=808, T=296 K. The structure was solved by the heavy atom and difference Fourier methods with intensity data measured on an automated four-circle diffractometer. The structure was refined by the full-matrix least-squares method to a final R= 0.081 for 3563 observed $[I_0{\geq}2{\sigam}(I_0)]$ reflections. The four independent molecules assume different overall conformations with systematically different orientations of the phenyl groups although the penam moieties have the same closed conformations. There are intramolecular hydrogen bonds between the exocyclic amide nitrogen and phenoxy oxygen atoms. The penam moiety is conformationally very restricted although the carboxyl and exocyclic amide groups apparently have certain rotational degrees of freedom but the phenyl group is flexible about the ether bond despite the presence of the intramolecular N-H${\cdots}$O hydrogen bond. There are complicated pseudo symmetric relationships in the crystal lattice. The penam moieties are related by pseudo 20.5 screw axes and the phenyl groups by pseudo centers of symmetry. The potassium ions, related by both pseudo symmetries, form an infinite zigzag planar chain parallel to the b axis. Each potassium ion is coordinated to seven oxygen atoms in a severely distorted pentagonal bipyramid configuration, forming the infinite hydrophilic channels which in turn form the molecular stacks. Between these stacks, there are only lipophilic interactions involving the phenyl groups.

The Study on Microstructures and Mechanical Properties of Mild Steel Joined with Various Spot Welding Conditions (점용접 조건에 의한 연강의 미세조직 및 기계적특성에 관한 연구)

  • 강연철;김대영;김완기;김석원
    • Journal of Welding and Joining
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    • v.18 no.1
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    • pp.52-58
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    • 2000
  • Spot welding, namely a kind of electric resisting welding has been used widely in field of automobile and aircraft industries because of easiness to apply. Specimens used in this study was a mild steel of 1.2mm thickness and the electrode was a Cu-Cr alloy of 6mm diameter. The surface sheared of specimens after testing of tensile shear was observed by SEM(scanning electron microscope) after ultrasonic cleaning for 10min., and microstructures and grain size of all specimens were measured with using of O.M.(Optical microscope). By the means of measurement and observations of tensile shear load, fatigue strength and share surface, the weldability of spot welding was evaluated. When tensile shearing testing, fracture starting point in all specimens was took place at the bond between HAZ(Heat affected zone) and nugget. With increasing in number of layers, fatigue strength was decreased. With increasing in electric current, grain size in the HAZ became more fine.

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ReaxFF and Density Functional Theory Studies of Structural and Electronic Properties of Copper Oxide Clusters

  • Baek, Joo-Hyeon;Bae, Gyun-Tack
    • Journal of the Korean Chemical Society
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    • v.64 no.2
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    • pp.61-66
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    • 2020
  • In this study, we investigate the structural and electronic properties of copper oxide clusters, CunOn (n = 9 - 15). To find the lowest energy structures of copper oxide clusters, we use ReaxFF and density functional theory calculations. We calculate many initial copper oxide clusters using ReaxFF quickly. Then we calculate the lowest energy structures of copper oxide clusters using B3LYP/LANL2DZ model chemistry. We examine the atomization energies per atom, average bond angles, Bader charges, ionization potentials, and electronic affinities of copper oxide clusters. In addition, the second difference in energies is investigated for relative energies of copper oxide clusters.

The Crystal and Molecular Structure of Chloramphenicol Base

  • Shin, Whan-Chul;Pyo, Myung_Ho
    • Bulletin of the Korean Chemical Society
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    • v.5 no.4
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    • pp.158-162
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    • 1984
  • The crystal structure of chloramphenicol base, $C_9H_{l2}N_2O_4$, the deacylated base of antibiotic chloramphenicol, has been determined by X-ray diffraction techniques using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with CuK${\alpha}$ radiation from a crystal with space group symmetry $P2_12_12_1$ and unit cell parameters a = 22.322(6), b = 7.535(6), c = 5.781(5) ${\AA}$. The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.051 for the 573 observed reflections. The overall conformation of the base is quite different from those of the chloramphenicol congeners which are similar despite the presence of many rotatable single bonds. The propane chain in the base is bent with respect to the phenyl ring, while it is extended in the chloramphenicol congeners. There is no intramolecular hydrogen bond between the hydroxyl groups of the propanediol moiety. All of the molecules in the crystal lattice are connected by a three-dimensional hydrogen bonding network.

전이금속 (Ru$^{3+}$, Ni$^{2+}$, Cu$^{2+}$, Pd$^{2+}$)-Polyaza(N$_4$) 착물의 합성과 올레핀 산화반응에 대한 촉매적 활성

  • Park, Yu Cheol;Kim, Seong Su;Na, Hun Gil;Lee, Dong Cheol;Sin, Sang Hui;Byeon, Jong Cheol
    • Journal of the Korean Chemical Society
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    • v.38 no.4
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    • pp.295-301
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    • 1994
  • The Ru(Ⅲ), Ni(Ⅱ), Cu(Ⅱ), and Pd(Ⅱ) complexes of N$_4$-polydentate ligands(meso-Me$_6$-[14]-ane, rac-Me$_6$-[14]-ane, and cyclam) have been prepared and their catalytic activity and selectivity in the oxidation of olefins in the presence of oxidant such as NaOCl, H$_2$O$_2$, t-BuOOH, and PhIO studied. The oxidations of cyclohexene, 1-hexene, cyclooctene, 1-octene, and styrene as substrates have been investigated gas chromatographically. The Ru(Ⅲ)-N$_4$ complexes showed high selectivity for epoxide in the catalyzed oxidation of olefins with NaOCl. The catalytic activities of Ru(Ⅲ)-N$_4$ complexes were discussed in terms of the flexibility of N$_4$-polydentate ligands, the Ru(Ⅲ)-Cl bond interaction and the steric effect of oxidants. The oxidation of 1-octene using PhIO as oxidant was carried out to verify. The Pd(Ⅱ) complex turned out to be more active catalyst than the Ni(Ⅱ) complexes.

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The Crystal and Molecular Structure of N-Acetyl-L-cysteine (N-Acetyl-L-cysteine의 결정 및 분자구조)

  • Young Ja Lee;Il-Hwan Suh
    • Journal of the Korean Chemical Society
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    • v.24 no.3
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    • pp.193-200
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    • 1980
  • The crystal structure of N-acetyl-L-cysteine, $C_5H_9NO_3S,$ has been determined from three dimensional photographic intensity data $(CuK{\alpha}$ radiation) by single crystal X-ray diffraction analysis. There is one formula unit in the triclinic unit cell with a = 7.04(3), b = 5.14(2), c = 8.25(3) ${\AA}$, ${\alpha}$ = 106(2), ${\beta}$ = 51(1), ${\gamma}$ = 124(2)$^{\circ}$ and space group P$_1$, The structure was solved by the direct method and refined by the full matrix least-squares method. The final R value is 12.3% for 629 observed reflections. The C-carboxyl group and the N-acetyl group are very neary planar. The molecule appears to form with neighboring molecules a hydrogen bond, $O-H{\cdot}{\cdot}{\cdot}O(3)$ of length 2.59${\AA}$.

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The Crystal and Molecular Structure of Salicylaldehyde-4-morpholinothiosemicarbazone (Salicylaldehyde-4-morpholinothiosemicarbazone의 결정 및 분자구조)

  • C. H. Koo;H. S. Kim;C. T. Ahn
    • Journal of the Korean Chemical Society
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    • v.21 no.1
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    • pp.3-15
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    • 1977
  • Crystals of salicylaldehyde-4-morpholinothiosemicarbazone, $C_{12}H_{15}O_2N_3S$, are orthorhombic with space group Pna21. Unit-cell dimensions are a = 11.85(5), b = 15.45(5) c = 7.18(3)${\AA}$ with z = 4. Three-dimensional intensity data were collected from the multiple-film equi-inclination Weissenberg photographs taken with $CuK{\alpha}$ radiation. The intensities were estimated visually. The structure was solved by Patterson and Fourier methods and refined by the block-diagonal least-squares methods until the final R value becomes 0.11 for the 1064 observed independent reflections. The morpholine ring has a chair form. The rest atoms of salicylaldehyde-4-morpholinothiosemicarbazone molecule excluding morpholine ring and sulfur atom approximately lie on a plane. The hydroxyl group of the salicylaldehyde and the nitrogen atom of the thiosemicarbazone form an intramolecular hydrogen bond, $O-H{\cdot}{\cdot}{\cdot}N$, of 2.67${\AA}$. The short intermolecular distances all appear to be normal van der Waals contacts.

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