• Title/Summary/Keyword: X-ray Structure Analysis

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Crystal Growth and Spectroscopic Investigation of Yb,Er:$YCa_4O{(BO_3)}_3$ for 1.55$\mu m$ Laser

  • Jeong, Suk-Jong;Yu, Young-Moon
    • Proceedings of the Optical Society of Korea Conference
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    • 1999.08a
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    • pp.220-221
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    • 1999
  • Single crystals of Yttrium Calcium Oxyborate (YCOB) doped with different concentrations of Er3+ and Yb3+ ions were growth by Czochralski method. High qualities of crystals in morphology and transparency were obtained . Analysis on crystal structure and lattice parameters were performed by X-ray diffraction method. It was found that congruent melting composition is YCA4.2O1.2(BO3)3. Absorption and fluorescence properties of grown crystals were also reported.

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Synthesis and structure of $[Cp^*Rh({\eta}^6-2,6-diisopropylaniline)](OTF)_2$

  • 백지영;한원석;이순원
    • Proceedings of the Korea Crystallographic Association Conference
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    • 2002.11a
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    • pp.29-29
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    • 2002
  • Reaction of [$Cp^*Rh(NO_3)OTf$] (1) with 2,6-diisopropylaniline under argon led to the formation of $[Cp^*Rh({\eta}^6-2,6-diisopropylaniline)](OTF)_2$, (2). Compound 2 was characterized by NMR, IR, elemental analysis, and X-ray diffraction. Crystallrographc data for 2: orthorhombic, space group $Cmc2_1$, $a=19.850(16){\AA}$, $b=9.870(8){\AA}$, $c=15.774(13){\AA}$, Z = 4, $R(wR_2)=0.0362(0.0938)$.

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Crystal Structures and Thermal Properties of 2,6-Dinitrophenol Complexes with Lanthanide Series

  • Kim, Eun-Ju;Kim, Chong-Hyeak;Kim, Jae-Kyung;Yun, Sock-Sung
    • Bulletin of the Korean Chemical Society
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    • v.29 no.6
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    • pp.1157-1161
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    • 2008
  • 2,6-Dinitrophenol (2,6-DNP) complexes with lanthanide series including yttrium (except Pm, Tm, and Lu) have been synthesized and their crystal structures have been analyzed by X-ray diffraction methods. Singlecrystal X-ray structure determinations have been performed at 296 K on the Ce$\rightarrow$Yb species and shown them to be isomorphous, triclinic, P1, a = 8.6558(2)$\rightarrow$8.5605(3) $\AA$, b = 11.8813(3)$\rightarrow$11.6611(4) $\AA$, c = 13.9650(3) $\rightarrow$13.8341(5) $\AA$, $\alpha$ = 73.785(1)$\rightarrow$73.531(2)o, $\beta$ = 74.730(1)→74.903(2)${^{\circ}}$, $\gamma$ = 69.124(1)→ 69.670 $(2){^{\circ}}$, V = 1266.86(5)→1221.53(7) $$\AA^{3}$$, Z = 2. In Ln(III) complexes, three 2,6-DNP ligands coordinate directly to the metal ion in the bidentate fashion. The nine coordinated Ln(III) ion forms slightly distorted tri-capped trigonal prism. There are no water molecules in the crystal lattice. The dependences of metal to ligand bond lengths are discussed on the atomic number of lanthanide elements. The thermal properties of lanthanide complexes of 2,6- DNP have also studied by TG-DTG and DSC thermal analysis methods.

X-ray crystal structure of two-dimensional bimetallic host clathrate with 2-aminoethanol, [Cd{NH2CH2CH2OH}2Ni(CN)4]·3C6H5NH2·H2O

  • Kim, Chong-Hyeak;Moon, Hyoung-Sil;Lee, Sueg-Geun
    • Analytical Science and Technology
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    • v.21 no.6
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    • pp.562-568
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    • 2008
  • A novel two-dimensional cadmium(II)-nickel(II) bimetallic host clathrate, $[Cd{NH_2CH_2CH_2OH}_2Ni(CN)_4]{\cdot}3C_6H_5NH_2{\cdot}H_2O$, 1, has been synthesized and structurally characterized by X-ray single crystallographic method. The clathrate 1 crystallizes in the monoclinic system, space group $P2_1/c$ with a = 14.370(3), b = 7.728(1), c = 28.172(4) ${\AA}$, ${\beta}=97.58(1)^{\circ}$, V = 3101.1(9) ${\AA}^3$, Z = 4. The host framework of the clathrate 1 is built of the cyanide bridges between octahedral Cd(II) atom and square planar Ni(II) atom. The octahedral Cd atoms ligated by two 2-aminoethanol molecules and four cyanide ligands bridged with square planar Ni atoms. The Ni atoms bridges to four Cd atoms via cyanides is made up of puckered quadrangles of composition $\{CdNi(CN)_2\}_2$, all edges are shared. This cyanide bridges form an infinite two-dimensional host networks stacking along b axis. 2-Aminoethanol ligands bond to Cd atom through N atom as a monodentate ligand in the axial position and four cyanides take an equatorial plane with all in trans-configurations. The aniline guest molecules and water molecules are located in between the host layer sheets, respectively.

Creation of Three-dimensional Convergence Model for Artifact Based on Optical Surface Scanning and X-ray CT: Sam-Chongtong Hand Canon in Jinju National Museum (광학식 표면스캐닝 및 X-선 CT를 활용한 유물의 3차원 융합모델 제작: 국립진주박물관 소장 삼총통)

  • Jo, Younghoon;Kim, Dasol;Kim, Haesol;Huh, Ilkwon;Song, Mingyu
    • Conservation Science in Museum
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    • v.22
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    • pp.15-26
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    • 2019
  • This study was focused on the three-dimensional convergence modeling that can multilaterally analyze internal and external shapes of the Sam-Chongtong Hand Canon by optical precision scanning optimized for acquiring the surface shape and X-ray CT scanning used for obtaining the internal shape. First, the scanning results were converted by compatible extension, after which three-dimensional deviation analysis was conducted to verify mutual conformities. Accordingly, most (56.98%) deviations between the two scanning models was found be ±0.1mm. This result did not influence registration and merging based on the ICP algorithm. The merged data exhibited the external surface color, detailed shapes, internal width, and structure of the hand canon. The three-dimensional model based on optical surface scanning and X-ray CT scanning can be used for traditional technique interpretation as well as digital documentation of cultural heritage. In the future, it will contribute to deliver accessible scientific information of exhibits for visitors.

Evaluation of a Tuberculosis Control Program at Community Health Centers (보건소 결핵관리사업 평가)

  • Hwang, Eun-Jeong
    • Journal of Korean Public Health Nursing
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    • v.21 no.2
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    • pp.241-251
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    • 2007
  • Purpose: To identify the effects on tuberculosis mortality of a tuberculosis control program conducted at 108 community health centers in terms of structure and process. Methods: The dependent variable was tuberculosis mortality, and the independent variables were the structure(type of centers, staff, nurses, doctors, budget) and process(chest X-ray checking, immunization, case detection, health education, patients registering & managing) of the tuberculosis control programs at the community health centers. Data were analyzed using descriptive analysis and stepwise regression analysis. Result: Tuberculosis morality was positively correlated with type of centers(rural area)(p<0.01), but negatively correlated with type of centers(large cities) (p<0.01), (middle cities)(p<0.05), staff FTE(p<0.05), and number of nurses(p<0.05). Regression analysis indicated that type of centers(rural area)($\beta$=0.457) and case detection($\beta$=0.234) had a significant effect on tuberculosis mortality. Conclusion: Ultimately, this study will provide information to improve the effectiveness of tuberculosis control programs in community health centers.

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The Chemical COmposition Analysis by AES and XPS of PbTiO$_3$ Thin Films Fabricated by CVD (화학증착법에 의해 제조된 PbTiO$_3$ 박막의 AES와 XPS에 의한 조성분석)

  • Soon Gil Yoon;Ho Gi Kim
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1989.06a
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    • pp.83-86
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    • 1989
  • Lead titanate thin films with a perovskite structure were successfully structure were successfully fabricated on titanium substrate by Chemical Vapour Deposition(CVD). Analyses of Auger Electron Spectroscopy(AES) and X-ray Photoelectron Spectroscopy (XPS) have been performed in order to find a chemical composition of lead titanate films. The analysis of chemical composition by AES and XPS was investigated for variations of deposition temperature and Ti(C$_2$H$_{5}$O)$_4$ fractions. The chemical composition of PbTiO$_3$by XPS analysis was almost constant regardless of deposition parameters and the comparison of chemical composition by AES and XPS was performed.d.

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Phase transition of (Bi, Pb)-2223 superconductor induced by Fe3O4 addition

  • Ko, Y.J.;Oh, J.Y.;Song, C.Y.;Yang, D.S.;Tran, D.H.;Kang, B.
    • Progress in Superconductivity and Cryogenics
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    • v.21 no.4
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    • pp.1-5
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    • 2019
  • We investigated the effect of Fe3O4 addition on the critical temperature of (Bi, Pb)-2223 polycrystalline samples. Bi1.6Pb0.4Sr2Ca2Cu3O10+δ + x wt. % Fe3O4 (x = 0.0, 0.2, 0.4, 0.6, and 0.8) samples were prepared by using a solid-state reaction method. The analysis of X-ray diffraction data indicates that as Fe3O4 is added, dominant phase of the sample changes from Bi-2223 to Bi-2212 with an increasing Bi-2201 phase. The transition temperature of the samples drastically decreased with the Fe3O4 addition. The resistance data of samples with x = 0.2 and 0.4 showed a double transition indicating a coexistence of Bi-2223 and Bi-2212 phase while the samples with x = 0.6 and 0.8 showed a single transition with a semiconducting behavior. This phase transition may originate from changes in local structure of the Bi-2223 system by Fe3O4 addition. Analysis of the pair distribution function of the Cu-O pair in the CuO2 plane calculated from extended X-ray absorption fine structure data revealed that the oxygen coordination of copper ion changes from CuO4 planar type (x = 0.0 - 0.4) to CuO5 pyramidal type (x = 0.6, 0.8). The correlated Debye-Waller factor, providing information on the atomic disorder within the CuO2 plane, shows an inverse relation to the coordination number. These results indicate that addition of Fe3O4 changes the oxygen distribution around Cu in the CuO2 plane, causing a phase transition from Bi-2223 to more stable Bi-2212/Bi-2201 phases.

Crystal Structure of Nitrogen Adsorption of $Cd^{2+}$ ion Exchanged Zeolite-X (카드늄으로 이온교환된 제올라이트 X의 질소 흡착 결정구조)

  • Lee, Seok-Hee;Jeong, Gyoung-Hwa;Kim, Nam-Seok
    • Journal of the Korean Applied Science and Technology
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    • v.22 no.3
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    • pp.204-211
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    • 2005
  • The structure of nitrogen adsorption complex of fully dehydrated $Cd^{2+}$ ion exchanged zeolite-X, $|Cd_{46}(N)_{18}|[Si_{100}Al_{92}O_{384}]$, was determined in the cubic space group $Fd\overline{3}$ at 21(1) $^{\circ}C$ [a = 24.863(4) ] by single crystal X-ray diffraction analysis. The crystal was prepared by ion exchange in a flowing steam of 0.05 M aqueous solution $Cd(NO_3)_2$ : $Cd(O_2CCH_3)_2$ = 1:1 for five days, followed by dehydration at $500^{\circ}C$ and $2{\times}10^{-6}$ Tor. for two days, and exposured to 100 Tor. zeolitically dry nitrogen gas at 21(1) $^{\circ}C$. The structure was determined in atmosphere, and was refined within $F_0$ > $4{\sigma}(F_0)$ using reflection for which the final error can appear in indices $R_1$ = 0.097 and $wR_2$ = 0.150. In this structure, $Cd^{2+}$ ions occupied four crystallographic sites. Nine $Cd^{2+}$ ions filled the octahedral site I at the centers of hexagonal prisms (Cd-O = 2.452(16) ${\AA}$). Eight $Cd^{2+}$ ions filled site I' (Cd-O = 2.324(19) ${\AA}$). The remaining 29 $Cd^{2+}$ ions are found at two nonequivalent sites II (in the supercages) with occupancy of 11 and 18 ions. Each of these $Cd^{2+}$ ions coordinated to three framework oxygens, either at 2.159(15) or 2.147(14) ${\AA}$, respectively. Eighteen nitrogen molecules were adsorbed per unit cell and three per supercage.

Synthesis and Properties of Noel Platinum(IV) Complexes Involving Asymmetric Chiral Diamines as Carrier Ligands

  • 이은주;전무진;손윤수
    • Bulletin of the Korean Chemical Society
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    • v.20 no.11
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    • pp.1295-1298
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    • 1999
  • Novel platinum(IV) complexes with asymmetric chiral diamine ligands cis,cis,trans-A2PtCl2(X)2 (X = OH, OCOCH3, OCOC2H5, A2 =NH2CH(CH3)CH2NH(c-C6H11)(apcha), NH2CH(CH3)CH2NH(c-C5H9)(apcpa)) have been prepared. One of the platinum(IV) complexes, (apcpa)PtCl2(OCOC2H5)2(6), was subjected to X-ray crystallographic analysis. The crystal structure of (apcpa)PtCl2(OCOC2H5)2 (monoclinic, P21 (No. 4), a = 9.1391(1), b = 22.2517(1), c = 10.0687(1)Å, β= 109.105(1)。 , V = 1934.80(3)Å3 , Z = 4, R1 = 0.0532) exhibits that the platinum atom achieves a typical octahedral arrangement with two nitrogen atoms in cis positions and two carboxylato group in trans positions. The spectroscopic data disclose that these platinum(IV) complexes are stable and their molecular structures are retained in aqueous solution. The title complexes are highly cytotoxic in vitro but do not exhibit oral anticancer activity in vivo.