• Title/Summary/Keyword: bond structure

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Disordered Crystal Structure of Diflunisal $(C_{13}H_{8}F_{2}O_{3})$ (디플루니살의 불균일 결정구조)

  • Kim, Yang-Bae;Park, Il-Yeong
    • Journal of Pharmaceutical Investigation
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    • v.26 no.1
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    • pp.55-59
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    • 1996
  • The crystal structure of diflunisal, 2',4'-difluoro-4-hydroxy-3-biphenyl-carboxylic acid, was determined by single crystal X-ray diffraction technique. The compound was recrystallized from a mixture of acetone and water in monoclinic, space group C2/c, with $a\;=\;34.666(6),\;b\;=\;3.743(1),\;c\;=\;20.737(4)\;{\AA},\;{\beta}=\;110.57(2)^{\circ}$, and Z = 8. The calculated density is $1.324\;g/cm^3$. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0.045 for 1299 observed reflections. It was found that the molecules in the crystal are partially disordered, that is, the two equivalent conformers $(180^{\circ}$ rotated ones through C(1)-C(7)) are packed alternatively without regular symmetry or sequence. The two phenyl rings of the biphenyl group is tilted to each other by the dihedral angle of $43.3^{\circ}$. The carboxyl group at the salicylic moiety is just coplanar to the phenyl ring, and the planarity of this salicylic moiety is stabilized by an intramolecular hydrogen bond of O(3)-H(O3) O(2). The molecules are dimerized through the intermolecular hydrogen bonds at the carboxyl group in the crystal.

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Performance Evaluation of R/C Beam-Column Joint According to Unbonded Rebar (비부착 철근 여부에 따른 RC 보-기둥 접합부의 성능평가)

  • Kwon, Min Ho;Jung, Woo Young;Jung, Jae Hoon
    • Journal of the Korea institute for structural maintenance and inspection
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    • v.15 no.6
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    • pp.201-211
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    • 2011
  • Many reinforced concrete structures have been constructed at the offshore in Korea and those are exposed in environments for long period. Due to that, the reinforcement of the structure faces possibility of corrosion by the salt damage. Such corrosions are effects on the bond performance between concrete and reinforcing bar as well as the performance of the structure. In this study, the performance of RC structure has been investigated when the reinforcing bars are totally bonded and unbonded in the structure. Through the experimental tests and finite element analyses of beam-column joint with bond and unbonded reinforcing bar, the energy dissipation capacity, strength, and crack distribution are compared and discussed.

The Crystal and Molecular Structure of Thiamphenicol

  • Shin, Whan-chul;Kim, Sang-soo
    • Bulletin of the Korean Chemical Society
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    • v.4 no.2
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    • pp.79-83
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    • 1983
  • The structure of thiamphenicol, one of the congeners of chloramphenicol which is a well-known antibiotic, has been determined by single crystal x-ray diffraction techniques. The crystal structure was determined using diffractometer data obtained by the $2{\theta}:{\omega}$ scan technique with $MoK{\alpha}$ radiation from a crystal having space group symmetry $P2_{1}2_{1}2_{1}$, and unit cell parameters a = 5.779, b = 15.292 and c = 17.322 ${\AA}$ . The structure was solved by direct methods and refined by least squares to an R = 0.070 for the 2116 reflections. The overall V-shaped conformation of thiamphenicol revealed in this study is consistent with those from the crystallographic studies and the proposed models from the theoretical and nmr studies of chloramphenicol. However there is no intramolecular hydrogen bond and the propanediol moiety is fully extended in the thiamphenicol molecule, while the crystal structures of chloramphenicol show the existence of the hydrogen bond between the two hydroxyl groups of the propanediol moiety forming an acyclic ring. All of the thiamphenicol molecules in the crystal are linked by a threedimensional hydrogen bonding network.

Local Structure Refinement of the $BaFe_{1-x}Sn_xO_{3-y}$ System with Fe K-Edge X-Ray Absorption (XANES/EXAFS) Spectroscopy

  • 김민규;곽기섭;로권선;여철현
    • Bulletin of the Korean Chemical Society
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    • v.18 no.7
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    • pp.743-749
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    • 1997
  • Local structure refinement of the BaFe1-xSnxO3-y system (x=0.00-0.50) has been carried out with Fe K-edge x-ray absorpion spectroscopic studies. It is found out that the Fe ions are placed in two different symmetric sites such as tetrahedral and octahedral sites in the compounds by comparison with Fe K-edge x-ray absorption near edge structure (XANES) spectrum of the γ-Fe2O3 compound as a reference. Small absorption peaks of dipole-forbiden transitions appear at a pre-edge region of 7111 eV due to the existence of Fe ions in the tetrahedral and octahedral sites. The peak intensity decreases with the substitution amount of Sn ion. Three different absorption peaks of 1s→4p dipole-allowed transition appear on the energy region between 7123 and 7131 eV. The peaks correspond to 1s→4p main transition of Fe ions in tetrahedral and octahedral sites and 1s→4p transition followed by the shakedown process of ligand to metal charge transfer. The bond distances between Fe ions in the tetrahedral site and nearest neighboring oxygen atom (Fe-4O), and those in octahedral site (Fe-6O) are determined with the extended x-ray absorption fine structure (EXAFS) analysis. Two different interatomic distances increase with the substitution amount of Sn ion and also the bond lengths of Fe-4O are shorter than those of Fe-6O in all compounds.

Theoretical Study of the Lowest Energy Structure of the Water Undecamer

  • Lee, Han-Myoung
    • Bulletin of the Korean Chemical Society
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    • v.24 no.6
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    • pp.777-779
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    • 2003
  • Density functional calculations and ab initio calculations have been carried out to study the lowest energy structure of the water ($H_2O)_{11}$. Among five structures suggested by four different groups, the lowest energy structure is found to have the skeletal structure of Prism56 (Pr56-24) that a cyclic pentamer and a cyclic hexamer are fused into a prism-shape with 16 hydrogen-bonds (HBs).

Molecular Structure of Bicyclo[4.2.2]decapentaene

  • Lee Oh Seuk;Lee Yi Hwa;Eiji Osawa
    • Bulletin of the Korean Chemical Society
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    • v.13 no.2
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    • pp.155-157
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    • 1992
  • Extensive search over the energy surface of bicyclo[4.2.2]decapentaene with MMP2 molecular mechanics method and AM1 semiempirical MO method revealed only one, deep energy minimum structure, which corresponds to 1. The alternative structure 2 could not be identified as a stationary point. Although the deviation of benzenoid ring from planarity is large in the energy minimum structure (${\phi} = 26^{\circ}$(MMP2), $37^{circ}$ (AM1)), the bond lengths show no severe alternation.

Electronic Absorption Spectrum of Photochromic Spironaphthoxazine Dye (광변색성 Spiroxazine 색소의 흡수스펙트럼)

  • Kim Sung Hoon;Lee Soon Nam;Lim Yong Jin
    • Journal of the Korean Chemical Society
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    • v.37 no.5
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    • pp.523-526
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    • 1993
  • Absorption spectra of photochromic spironaphthoxazine dye in various solvents were examined and exhibited a positive solvatochromism. The positive solvatochromism of this dye strongly suggests that the structure of open chain forms is keto type structure, 4a. The effect of structural change on the electronic spectra, on replacement of the C=C bond by C=N bond, is discussed.

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A Study on Waterproofing and Anticorosive Performance Evaluation of Surface treatment material used wi th Glass Fiber, Inorganic and Organic Material for Water Tank (수조구조물의 방수.방식 공사용 유기.무기 소재 및 섬유보강형 바탕처리재의 성능평가에 관한 연구)

  • 오상근;박봉규;주웅일;박성진
    • Proceedings of the Korean Institute of Building Construction Conference
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    • 2001.11a
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    • pp.70-75
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    • 2001
  • There is a problem to be solved for improvement of durability and safety for concrete When the waterproofing and anticorrosive work of main concrete are design, the material a of construction need to be correctly applied to appropriate circumstance conditions. Epoxy mostly been used for concrete water tank structure. Lately, lots of subjects on adaption res in mortar for waterproofing and anticorrosive are under discussion. Then, we attempt to approach by evaluating and comparing every capabilities with waterproofing materials in this experiment. Capability evaluation items include the bond age and curing conditions, the bond strength after accelerated weathering test and fret impact resistance, a mount of water, seepage quan Through the experiment analysis, we found that waterproofingtity, drinking water chemicals resistance. and anticorrosive resin mortar used with glass fiber cloth, inorgar material is dominantly superior to other waterproofing materials. According to this paper, we suggest the resin mortar as a new surface treatment material water tank structure.

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Design Optimization of GaAs Wafer Bonding Module (GaAs 웨이퍼 본딩모듈의 최적화 설계)

  • 지원호;송준엽;강재훈;한승우
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 2003.06a
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    • pp.860-864
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    • 2003
  • Recently. use of compound semiconductor is widely increasing in the area of LED and RF device. In this study, wafer bonding module is designed and optimized to bond 6 inches device wafer and carrier wafer. Bonding process is performed in vacuum environment and resin is used to bond two wafers. Load spreader and double heating mechanisms are adopted to minimize wafer warpage and void. Structure and heat transfer analyses show the designed mechanisms are very effective in performance improvement.

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physical structure of dynamic systems to implement a given system function (시스템함수를 실현하는 동적시스템의 물리구조에 관하여)

  • 박전수;김종식
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 1996.04a
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    • pp.294-298
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    • 1996
  • This paper presents an attempt to find the physical structure of dynamic systems which achieves the behavior of a given system function. The scheme pursued by te paper would be regarded as synthesizing dynamic systems, and a method to synthesize them analytically is proposed by means of bond graph prototypes. The method proposed adopts several concepts used to synthesize networks in the electrical field, but yet demonstrates its own strengths such as the freedom from the causality assignment and determination of junction types. Also, it is shown that this method has further advantages in reticulating a given specification into feedforward and feedback expansions relative to electrical network synthesis and the method introduced by Redfield. The proposed method is examined through an example to trace the outline of the analytical synthesis of dynamic systems using bond graph prototypes.

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