• Title/Summary/Keyword: x-ray crystallography

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Crystal Growth of $YCa_4O(BO_3)_3$ and Preparation of Device for Second Harmonic Generation ($YCa_4O(BO_3)_3$ 비선형광학 단결정 성장 및 Second Harmonic Generation 소자 제조에 관한 연구)

  • ;A.Y. Ageyev
    • Korean Journal of Crystallography
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    • v.11 no.1
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    • pp.16-21
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    • 2000
  • (Yb/sub x/Y/sub 1-x/)Ca₄O(BO₃)₃ single crystals where x=0.3,8,15,20% were grown by Czochralski Method. The crystals grown under the optimum conditions were transparent and colorless with good crystal form. Using polarizing microscope, crystal defects such as parasite crystals and bubbles were detected depending on the composition of melts and pulling rates. The optimum growth parameters for high quality of single crystals were 15∼20 rpm of rotation rate and 2mm/h of pulling rate at the flow rate of 2 l/min of Nitrogen gas. The relationship between crystal axes and optical axes was investigated by optical crystallographic method, polarization technique and single crystal X-ray method. From the spectroscopic measurements, it was confirmed that there were strong absorption bands at 900 and 976.4 nm and strong emission band at 976.4 nm in Yb/sup 3+/ ion doped YCa₄O(BO₃)₃ crystal. For the application of second harmonic generation of 1.064 ㎛ laser, non-linear optical devices with θ=32.32° and Ψ=0°, λ/10 of flatness and the size of 6x8x5.73 mm were fabricated from the grown YCa₄O(BO₃)₃ crystal.

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Structure of Cholesteryl Hemisuccinate (Cholesteryl Hemisuccinate의 구조)

  • Park, Young-Ja
    • Korean Journal of Crystallography
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    • v.15 no.1
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    • pp.29-34
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    • 2004
  • The crystal structure of cholesteryl hemisuccinate ($C_{31}H_{50}O_4$) was investigated by X-ray diffraction method. The cholesterol fragment of the title compound were in good agreement with those for related cholesterol derivatives. The unit cell contains four cholesteryl hemisuccinate molecules that are not related by crystal symmetry and have their tetracyclic system almost parellel to each other. There are two pairs of hydrogen-bonded dimer between A and D molecules and B and C molecules. These two hydrogen-bonded dimers are parallel to the c-axis, and are closely packed.

Studies on Negative Thermal Expansion in $SrA1_2(BO_3)_2O$ Compound ($SrA1_2(BO_3)_2O$ 화합물에 있어서 열적 수축성 연구)

  • 장기석;이영건;오원균;한범수;더글라스케슬러
    • Korean Journal of Crystallography
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    • v.14 no.1
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    • pp.7-12
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    • 2003
  • The compound SrA1₂(BO₃)₂O is a good host lattice for negative thermal expansion. We have measured thermal expansion over the limited temperature range by X-ray diffraction and ceramic dilatometry. In the aluminum borate compound, a thermal contraction is observed with a coefficient -1.64×10/sup -4/ Å/℃ on the c axis in the temperature range 23∼215℃ and with a maximum change -1.75㎛ in length of a ceramic bar of 20㎜ in the temperature range 110∼170℃, respectively.

The Crystal Structure of Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II) (Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II)의 결정구조)

  • Go, Gi-Yeong;Nam, Gung-Hae;Han, Sang-Gon
    • Korean Journal of Crystallography
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    • v.9 no.1
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    • pp.71-76
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    • 1998
  • Crystal structure of Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II0 has been determined by X-ray crystallography. Crystal data : (Pd(C2H8N2)2.Pd(C2O4)2), Fw=509.04, Monocline, Space Group P21/c (no=14), a=6.959(2), b=13.506(2), c=15.339(2) Å, β=99.94(3), Z=4, V=1420 Å3, Dc=2.380 gcm-3, μ=25.46cm-1, F(000)=992. The intensity data were collected with Mo-Kα radiation (λ=0.7107 Å) on an automatic four-circle diffractometer with a graphite monochromater. The structure was solved by Patterson method and refined by full matrix least-square methods using unit weights. The final R and S values were R=0.021, Rw=0.030, Rall=0.032 abd S=2.1 for 1472 observed reflections. The essentially planar complex anions form diade of interplanar distances of 3.41 Å and their diads are stacked along aaxis with interplanar separation of 3.44 Å.

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Synthesis, Thermal Decomposition Pattern and Single Crystal X-Ray Studiesof Dimeric [Cu(dmae)(OCOCH3)(H2O)]2: A Precursor for the Aerosol Assisted Chemical Vapour Deposition of Copper Metal Thin Films

  • Mazhar, Muhammad;Hussain, S.M.;Rabbani, Faiz;Kociok-Kohn, Gabriele;Molloy, Kieran C.
    • Bulletin of the Korean Chemical Society
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    • v.27 no.10
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    • pp.1572-1576
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    • 2006
  • A dimeric precursor, $[Cu(dmae)(OCOCH_3)(H_2O)]_2$ for the CVD of copper metal films, (dmaeH = N,N-dimethylaminoethanol) was synthesized by the reaction of copper(II) acetate monohydrate ($Cu(OCOCH_3)_2{\cdot}H_2O$) and dmaeH in toluene. The product was characterized by m.p. determination, elemental analysis and X-ray crystallography. Molecular structure of $[Cu(dmae)(OCOCH_3)(H_2O)]_2$ shows that a dimeric unit $[Cu(dmae)(OCOCH_3)(H_2O)]_2$ is linked to another through hydrogen bond and it undergoes facile decomposition at 300 C to deposit granular copper metal film under nitrogen atmosphere. The decomposition temperature, thermal behaviour, kinetic parameters, evolved gas pattern of the complex, morphology, and the composition of the film were also investigated.

Structural Studies of Membrane Protein by Solid-state NMR Spectroscopy (고체상 핵자기공명 분광법을 이용한 막단백질의 구조연구)

  • Kim, Yongae
    • Analytical Science and Technology
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    • v.17 no.5
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    • pp.388-392
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    • 2004
  • Structural studies of membrane proteins, importantly involving interpretation of genomics information, many signaling pathway and major drug target for drug discovery, are having difficulty in characterizing the function using conventional solution nmr spectroscopy and x-ray crystallography because phospholipid bilayers hindered fast tumbling and crystallization. Here, we studied the structure of the pf1 coat protein in oriented phospholipid bilayers by home-built solid-state NMR probe. Bacteriophage pf1 was purified from Paeudomonas Aeruginosa and coat protein of bacteriophage pf1 was isolated from DNA and other proteins.

Small Angle X-Ray Scattering Study on the Oxopolymer Variations of BaTi-ethoxide Sol by Catalysts (촉매제에 의한 BaTi-에톡사이드 솔의 옥소폴리머 변화에 대한 저각 X선 산란연구)

  • 고태경;배호기
    • Korean Journal of Crystallography
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    • v.4 no.1
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    • pp.36-41
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    • 1993
  • Small angle X-ray scattering was used to study on the oxopolymers of sols derived from BaTiethoxide. The growths of the oxopolymers in tools obtained with NH40H as catalyst and catalystfree sol are similar. Their radii of gyration are 1.66-2.08nm. They exhibit a mass fractal behavior with a dimension of 1.6, which is almost inde pendent with amount of NH40H addition. Sols catalyzed with CHSCOOH have greater radii of gyration of 3.24-4.OOnm. Their scattering curves are similar in the intermediate Q region, showing a mass fractal dimension of 1.8. The oxopolymers of the tools from the base and the neutral hydrolysis conditions may have a short chain structure.

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Deposition of ZnO thin films by RF magnetron sputtering (RF 마그네트론 스퍼터링법을 이응한 ZnO 박막 증착에 판한 연구)

  • 강창석;김영진
    • Korean Journal of Crystallography
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    • v.2 no.2
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    • pp.1-6
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    • 1991
  • ZnO thin films were deposited on p-Si(100) and Coming glass 7059 by f magnetron sputtering mothod. The effect of deposition parameters on the electrical, structural and optical properties were investigated. Highly c-axis oriented ZnO thin films were deposited at high rf power. Standard deviation(σ) of X-ray rocking curve of peak at 26θ=34,4˚ ranged from 6.8˚ to 7.2˚, depending on the deposition condition. ZnO thin films deposited on glass substrate eihibited 80% transmittance in the visible range, regardless of the deposition parameters. Resistivity of ZnO thin films was significantly affected by f power and Ar pressure, and ranged widely from 3×102 to 2×109 Ω.

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Structures of (4-Nitro-benzylidene)-(3-nitro-phenyl)-amine and trans-Dichlorobis (3-nitroaniline) palladium(II) ((4-Nitro-benzylidene)-(3-nitro-phenyl)-amine 및 trans-Dichlorobis(3-nitroaniline) palladium(II)의 구조)

  • Lee Hee K.;Lee Soon W.
    • Korean Journal of Crystallography
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    • v.16 no.1
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    • pp.6-10
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    • 2005
  • A novel potential linking ligand (4-nitro-benzylidene)-(3-nitro-phenyl)-amine (1) was prepared from 4-nitrobenzaldehyde and 3-nitroaniline by the Schiff-base condensation. From the reaction between 1 and dichlorobis(benzonitrile)palladium (II) $(PdCl_2(NCPh)_2)$, an unexpected product $trans-PdCl_2(NO_2-C_6H_4-NH_2)_2$ (2) was isolated. Compounds 1 and 2 were structurally characterized by X-ray diffraction. In compound 2, the $NH_2$ hydrogen atoms in the 3-nitroaniline ligand participate in intermolecular N-H${\cdot}\;{\cdot}\;{\cdot}\;$Cl hydrogen bonds.

Microstructure of Nanocrystalline Electrolytic $MnO_2$ (EMD) (Nanocrystalline Electrolytic $MnO_2$ (EMD)의 미세구조 연구)

  • ;Anqiang He;Arthur H. Heuer
    • Korean Journal of Crystallography
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    • v.14 no.2
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    • pp.79-83
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    • 2003
  • The microstructure of bulk electrolytic MnO₂ (EMD) was studied using x-ray diffraction and transmission electron microscopy (TEM). The bulk sample showed a typical powder x-ray diffraction pattern of EMD materials. TEM study showed that the structure of EMD is present at two length scales;grains, ∼0.2 ㎛ in diameter, and ∼10 nm crystallites within the grain. The electron beam microdiffraction study revealed that each grain is an assemblage of multiphase with a common crystallographic orientation, and_that ∼50% of the crystallites are Ramsdellite, ∼30% are ε-MnO₂, and ∼15% are Pyrolusite. The {1120}peak located at about 67° in powder XRD pattern as well as a high-resolution electron microscope (HREM) image of (0001) plane support the existence of ε-MnO₂ phase.