• Title/Summary/Keyword: C-O bond

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Effect of La0.7Sr0.3MnO3 addition on superconducting properties and local structure of (Bi, Pb)-2223 superconductor

  • M. A. Anugrah;R. P. Putra;J. Y. Oh;B. Kang
    • Progress in Superconductivity and Cryogenics
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    • v.25 no.2
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    • pp.5-9
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    • 2023
  • The effect of La0.7Sr0.3MnO3 (LSMO) addition on the superconducting property of Bi1.6Pb0.4Sr2Ca2Cu3O10+δ ((Bi, Pb)-2223) polycrystalline samples was studied. LSMO (0.3 wt.% to 2.0 wt.%) added (Bi, Pb)-2223 samples were prepared by using a solid-state reaction method. The XRD analyses show that as the LSMO addition increases, the volume fraction of the Bi-2223 phase is gradually decreased. The critical temperature (Tc) exhibits a gradual decrease with a single transition as the LSMO amount increases up to 1.0 wt.%, but a further addition of LSMO induces an abrupt decrease of Tc with a dual transition. The analyses on the local structure of the CuO2 plane from the X-ray absorption fine structure (EXAFS) measurements showed that for the samples with low concentration of LSMO up to 1.0 wt.%, the Cu-O bond length and the CuO2 plane ordering do not degrade from the values of pure (Bi, Pb)-2223, while they get worsen with a further increase of LSMO addition. These results open up the possibility of LSMO as artificial pinning centers of the (Bi, Pb)-2223 system for power application.

A Study on the Etching Properties of TiW Films (TiW막의 식각특성 연구)

  • 김창일;권광호
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1996.05a
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    • pp.288-291
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    • 1996
  • The surface properties after plasma etching of TiW solutions using the chemistries of BCl$_3$ and SF$\_$6/ gases with varying mixing ratio have been investigated using X-ray photoelectron spectroscopy. The elements of C, Cl, F, O and S are observed on the etched TiW films. After plasma etching with SF$\_$6/ gas, Ti-S bond are detected on the samples and Ti-S bond makes a role of passivation layer that surpresses Ti-O formation. After plasma etching wish BCl$_3$ gas, Ti are easily removed but W are hardly etched. As a results, W/Ti are increased on the etched sample.

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Minimization of Porosity in Ceramic Coating on a Hydraulic Cylinder (유압실린더 세라믹코팅 기공률 최소화 방안)

  • Jung, Youngho;Moon, Seung-Jae;Yoo, Hoseon
    • Plant Journal
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    • v.6 no.4
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    • pp.63-71
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    • 2010
  • The best way to prevent the corrosion of piston rod is a selection of quality of the material and method of construction which minimize the porosity. The high velocity oxy fuel(HVOF) method, which generates lower porosity than existing plasma spray, was applied to ceramic laminated bond layer. Porosity percentage fell to bellow 2%, lower than that of plasma spray at 7%. Coating material of ceramic-coated main layer was selected as the $Cr_2O_3$ affiliation material, which is more dense than $Al_2O_3$ affiliation. To fill up the pores formed after the coating process, we sealed the bond layer and main layer. Sealing process was performed twice, once after the coating and once after the grinding. Upon the anti-corrosion test on the sealed sample and on the non-sealed sample, it is confirmed that the sealed sample was not corroded for 1,000 hours while the non-sealed sample was corroded within 48 hours.

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Characterization of Anthraquinone-Based Electron Acceptors for Organic Solar Cells (유기태양전지용 안트라퀴논 기반 전자 받게 분자의 특성 분석)

  • Hyun, Chang-Seok;An, Byeong-Kwan
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.35 no.4
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    • pp.366-371
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    • 2022
  • Recently many efforts have been made to develop a novel class of non-fullerene electron acceptor materials for high-performance organic solar cells. In this work, anthraquinone derivatives, TMAQ and THAQ, were prepared and their availability as electron acceptor materials for organic solar cells were investigated in terms of optical, thermal, electrochemical properties, and solar cell devices. Compared to TMAQ, a significant bathochromic shift of absorption band was observed for THAQ owing to intramolecular hydrogen-bond-assisted CT interactions. Thanks to the fused aromatic ring structure and benzoquinone unit, both TMAQ and THAQ exhibited a high thermal stability and an efficient electron reduction process. In particular, the intramolecular O-H---O=C hydrogen bond of THAQ plays an important role in improving the thermal stability and electron reduction properties. In the P3HT:acceptor solar cell system, THAQ-based devices had more than ca. 6 times higher power conversion efficiency than TMAQ -based devices. These results serve as a guide for developing high-efficient anthraquinone-based electron acceptor materials.

Crystal and Molecular Structure of Methyl 12-(3-bromophenyl)-9-[(4-methylbenzene)sulfonyl]-22-oxo-13,21-dioxa-9-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),3,5,7,15(20),16,18-heptaene-11-carboxylate

  • Kothandan, Gugan;Ganapathy, Jagadeesan;Damodharan, Kannan;Sanmargam, Aravindhan
    • Journal of Integrative Natural Science
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    • v.7 no.2
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    • pp.92-102
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    • 2014
  • The crystal structure of the title compounds with both coumarin and sulfonamide moieties were examined. These two groups have very special for their pharmaceutical and medicinal properties have been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group C2/c with unit cell dimension a = 28.633(3) ${\AA}$, b= 9.3215(7) ${\AA}$ and c= 24.590(2) ${\AA}$ [alpha & gamma=$90^{\circ}$ beta= $115.976(3)^{\circ}$]. In the structure The S1 atom shows a distorted tetrahedral geometry, with O1-S1-O2 [119.74 $(2)^{\circ}$] and N1-S1-C5 [$105.57(1)^{\circ}$] angles deviating from ideal tetrahedral values are attributed to the Thrope-Ingold effect. The sum of bond angles around N1 ($316.2(1)^{\circ}$) indicates that N1 is in sp2 hybridization. The Pyridine ring adopts boat conformation and pyran rings adopt a sofa conformation. The carboxylate group of atoms were disordered over two positions with site occupancy factors 0.598 (9):0.402 (9). Crystal structure and packing is stabilized by $C-H{\ldots}O$ intra and inter molecular hydrogen bond interactions.

Molecular and Crystal Structure of' Metalaxyl, $C_{15}H_{21}NO_4$ (Metalaxyl, $C_{15}H_{21}NO_4$의 분자 및 결정구조)

  • Keun Il Park;Young Kie Kim;Sung Il Cho;Man Hyung Yoo
    • Korean Journal of Crystallography
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    • v.13 no.3_4
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    • pp.148-151
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    • 2002
  • The molecular and crystal structure of metalaxyl C/sub15/H/sub21/NO₄, was determined by single crystal x-ray diffraction study. Crystallographic data for, title compound P2₁/c, a=7.849(4) Å, b=13.081(5) Å, c=15.100(3) Å, β=101.8(2)°, V= 1517.6(3) ų, Z=4. The molecular. Structure model was solved by direct method and refined by full-matrix least- squares. The final reliable factor, R, is 0.067 for 1694 independent reflections (F/sub o//sup 2/>4σ(F/sub o//sup 2/)). The molecular structure of title compound shows an intramolecular hydrogen bond: Cl2-Hl2A…O1.

Structure Determination of D-Asparagine by Modified Pseudospectral Hartree-Fock Gradient Method

  • Lee, Jung-Goo
    • Bulletin of the Korean Chemical Society
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    • v.15 no.11
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    • pp.953-957
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    • 1994
  • Pseudospectral Hartree-Fock(PSHF) gradient calculations with $6-31G^{**}$ basis set have been carried out to determine the structure of D-Asparagine molecule $(C_4N_2O_3H_8)$ with improved grids and with the BFGS method. The modified PSHF method, despite partial optimization of the gradient code, turned out to be still faster than the conventional ab initio method, GAUSSIAN 90 program by more than twice. The optimum geometry of D-Asparagine obtained by the PSHF method is in good agreement with those calculated by the GAUSSIAN 90 program (within 0.0036 ${\AA}$ for bond lengths, 0.8 degrees for bond angles, and 1.6 degrees for torsional angles) except for three torsional angles. Here, rather large discrepancy of these three torsional angles (5-6 degrees) is attributed to the small differences in the optimum bond lengths and angles between the PSHF and GAUSSIAN 90 calculations.

Evaluation of shear bond strength of repair acrylic resin to Co-Cr alloy

  • Kulunk, Safak;Kulunk, Tolga;Sarac, Duygu;Cengiz, Seda;Baba, Seniha
    • The Journal of Advanced Prosthodontics
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    • v.6 no.4
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    • pp.272-277
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    • 2014
  • PURPOSE. The purpose of this study was to investigate the impact of different surface treatment methods and thermal ageing on the bond strength of autopolymerizing acrylic resin to Co-Cr. MATERIALS AND METHODS. Co-Cr alloy specimens were divided into five groups according to the surface conditioning methods. C: No treatment; SP: flamed with the Silano-Pen device; K: airborne particle abrasion with $Al_2O_3$; Co: airborne particle abrasion with silica-coated $Al_2O_3$; KSP: flamed with the Silano-Pen device after the group K experimental protocol. Then, autopolymerized acrylic resin was applied to the treated specimen surfaces. All the groups were divided into two subgroups with the thermal cycle and water storage to determine the durability of the bond. The bond strength test was applied in an universal test machine and treated Co-Cr alloys were analyzed by scanning electron microscope (SEM). Two-way analysis of variance (ANOVA) was used to determine the significant differences among surface treatments and thermocycling. Their interactons were followed by a multiple comparison' test performed uing a post hoc Tukey HSD test (${\alpha}=.05$). RESULTS. Surface treatments significantly increased repair strengths of repair resin to Co-Cr alloy. The repair strengths of Group K, and Co significantly decreased after 6,000 cycles (P<.001). CONCLUSION. Thermocycling lead to a significant decrease in shear bond strength for air abrasion with silica-coated aluminum oxide particles. On the contrary, flaming with Silano-Pen did not cause a significant reduction in adhesion after thermocycling.

Crystal Structure Analysis of 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile

  • Malathy, P.;Ganapathy, Jagadeesan;Srinivasan, J.;Manickam, Bakthadoss
    • Journal of Integrative Natural Science
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    • v.8 no.4
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    • pp.250-257
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    • 2015
  • The crystal structure of the potential active 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile ($C_{19}H_{16}N_2O_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group $P2_1/c$ with unit cell dimension a=6.6869 (8) ${\AA}$, b=15.8326 (19) ${\AA}$ and c= 15.237 (2) ${\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=100.663^{\circ}$ and ${\gamma}=90^{\circ}$]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometrical parameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized by intermolecular C-H...N and C-H...O hydrogen bond interaction.

Density Functional Theory Studies on the Electrophilic versus Electron Transfer Mechanisms of Aryl Vinyl Ethers

  • 김왕기;손창국;임선희;이순기;김창곤;이익춘
    • Bulletin of the Korean Chemical Society
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    • v.20 no.10
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    • pp.1177-1180
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    • 1999
  • The ab initio SCF MO and density functional theory (DFT) studies are carried out on the electrophilic (1a) and electron transfer (1b) addition reactions to the vinyl double bond of aryl vinyl sulfides and ethers. In the electrophilic addition processes, a double bond shift from C3 = C4 to X = C3 occurs with occupation number (1.97) close to the normal two. Due to this shift direct conjugation between the cationic center, X = S or O, and the para electron-donor substituent becomes impossible so that the reaction energies (or log K) are correlated with σ rather than σ+. By contrast, radical cation formation leads to delocalization of the SOMO, a lone-pair πorbital on X, with four major resonance structures in which cationic charge as well as spin density is delocalized over C4 , X and C7 atoms. As a result, partial πbonds are formed over C1 -X and C3 - C4 with occupation numbers (0.82) lower than one. In two of the cannonical structures, III(Ⅹ) and III(X+), direct conjugation between the cationic center, X, and the para substituent is achieved so that a better correlation with σ+ rather than σis obtained. The SCF MO energies at the HF/3-21G* and HF/6-31G* levels lead to very much inferior Hammett correlations in the σ/ σ+ diagnostic criterion. In contrast, the ρvalues evaluated with the DFT energies can give reliable diagnostic distinction between the two addition mechanisms.