• 제목/요약/키워드: X-ray Structure Analysis

검색결과 1,125건 처리시간 0.023초

Synthesis, Crystal Structures and Properties of Two Binuclear Supramolecular Complexes Based on Biphenyl-2,2'-dicarboxylic Acid Ligand

  • Tang, Jin-Niu;Pan, Gang-Hong;Li, Long;Tian, Wei-Man;Huang, Zhong-Jing
    • Bulletin of the Korean Chemical Society
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    • 제34권2호
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    • pp.374-378
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    • 2013
  • Two novel binuclear metal-organic coordination complexes [$Cd_2(Hdpa)_4(bpy)_2$] (1), [$Dy_2(dpa)_2(bpy)_2(NO_3)_2-(H_2O)_2$](bpy) (2) (where $H_2dpa$ = biphenyl-2,2'-dicarboxylic acid, bpy = 2,2'-bipyridine) have been synthesized under hydrothermal conditions and characterized by single crystal X-ray diffraction, spectral method (IR), elemental analysis (EA), powder X-ray diffraction (XRD), electronic spectra (UV-vis), fluorescent in the solid state and thermogravimetric analysis (TGA). Complexes 1-2 crystallizes isomorphously in the Triclinic space group P-1. The ${\pi}-{\pi}$ stacking interactions and hydrogen-bonds play a vital role in determining the crystal packing and construction of the extended 3-D supramolecular network.

Pitting Corrosion Inhibition of Sprinkler Copper Tubes via Forming of Cu-BTA Film on the Inner Surface of Corrosion pits

  • Suh, Sang Hee;Suh, Youngjoon;Kim, Sohee;Yang, Jun-Mo;Kim, Gyungtae
    • Corrosion Science and Technology
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    • 제18권2호
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    • pp.39-48
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    • 2019
  • The feasibility of using benzotriazole (BTAH) to inhibit pitting corrosion in the sprinkler copper tubes was investigated by filling the tubes with BTAH-water solution in 829 households at an eight-year-old apartment complex. The water leakage rate was reduced by approximately 90% following BTAH treatment during 161 days from the previous year. The leakage of one of the two sprinkler copper tubes was investigated with optical microscopy, scanning electron microscopy, energy dispersive spectroscopy, X-ray photoelectron spectroscopy, and X-ray diffraction analysis to determine the formation of Cu-BTA film inside the corrosion pits. All the inner components of the corrosion pits were coated with Cu-BTA films suggesting that BTAH molecules penetrated the corrosion products. The Cu-BTA film was about 2 nm in thickness at the bottom of a corrosion pit. A layer of CuCl and $Cu_2O$ phases lies under the Cu-BTA film. This complex structure effectively prevented the propagation of corrosion pits in the sprinkler copper tubes and reduced the water leakage.

대기 분위기에서 열증발법에 의해 성장된 여러 가지 형상의 일차원 MgO 나노구조 (One-Dimensional MgO Nanostructures with Various Morphologies Grown by Thermal Evaporation Method under Atmospheric Environment)

  • 김남우;김진수;이근형
    • 한국재료학회지
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    • 제33권7호
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    • pp.279-284
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    • 2023
  • One-dimensional MgO nanostructures with various morphologies were synthesized by a thermal evaporation method. The synthesis process was carried out in air at atmospheric pressure, which made the process very simple. A mixed powder of magnesium and active carbon was used as the source powder. The morphologies of the MgO nanostructures were changed by varying the growth temperature. When the growth temperature was 700 ℃, untapered nanowires with smooth surfaces were grown. As the temperature increased to 850 ℃, 1,000 ℃ and 1,100 ℃, tapered nanobelts, tapered nanowires and then knotted nanowires were sequentially observed. X-ray diffraction analysis revealed that the MgO nanostructures had a cubic crystallographic structure. Energy dispersive X-ray analysis showed that the nanostructures were composed of Mg and O elements, indicating high purity MgO nanostructures. Fourier transform infrared spectra peaks showed the characteristic absorption of MgO. No catalyst particles were observed at the tips of the one-dimensional nanostructures, which suggested that the one-dimensional nanostructures were grown in a vapor-solid growth mechanism.

자가치아골이식재의 결정구조 분석: X선 회절 분석 (Analysis of crystalline structure of autogenous tooth bone graft material: X-Ray diffraction analysis)

  • 김경욱;여인성;김수관;엄인웅;김영균
    • Journal of the Korean Association of Oral and Maxillofacial Surgeons
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    • 제37권3호
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    • pp.225-228
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    • 2011
  • This study evaluated the mineral crystalline structure of an autogenous tooth bone graft material. The crystalline structures of the autogenous tooth bone graft material enamel (AutoBT E+), dentin (AutoBT D+), xenograft (BioOss), alloplastic material (MBCP), allograft (ICB) and autogenous mandibular cortical bone were compared using XRD. The XRD pattern of AutoBT dentin and ICB was similar to that of autogenous bone.

Di- and Triorganotin(IV) Complexes of Sulfur-containing Ylidenemalonates

  • Jung, Ok-Sang;Lee, Young-A;Hong, Jong-Ki;Jeong, Jong-Hwa;Sohn, Youn-Soo
    • Bulletin of the Korean Chemical Society
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    • 제14권6호
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    • pp.722-726
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    • 1993
  • Organotin(IV) complexes of ylidenemalonates $(R_xSn)_{x-1}(O_2C)_2C=C(SR')_2\;(R=n-C_4H_9,\;C_6H_5,\;cyclo-C_6H_{11},\;CH_3OOCCH_2CH_2;\;x=2,3;\;R'=CH_3,\;R_2'=-CHCH-,\;-CH_2CH_{2^-})$ have been synthesized and characterized by means of various spectroscopic methods. The X-ray crystal structure of $(Ph_3Sn)_2(O_2C)_2C=C(SCH_3)_2$ has been determined (Pi; a= 9.704(2) ${\AA}$, b= 14.412(1) ${\AA}$, c= 14.760(3) ${\AA}$, ${alpha}$=74.26(1)$^{\circ}$, ${beta}$=99.38(l)$^{\circ}$, ${\gamma}$=79.09(1)$^{\circ}$, $V= 1950.7(7){\AA}^3$) and refined to R= 0.045. The crystal structure discloses a discrete molecule with bidentate-like carboxylate ligand. For diorganotin analogues, the structures are discussed in terms of IR, $^1H-NMR,\;^{13}C-NMR$, and FAB mass spectrometry. The mass spectrum indicates that the diorganotin complexes of ylidenemalonates are dimeric.

X-선 광전자 분광법에 의한 Nd-Fe-B 리본합금으 표면 산화거동 연구 (A Study of Oxidation Behavior on the Surface of Nd-Fe-B Ribbon Alloy by X-ray Photoelectron Spectroscopy)

  • 정강섭;성학제;김건한;박윤창;이경철;서수정
    • 분석과학
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    • 제8권3호
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    • pp.351-358
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    • 1995
  • X-선 광전자 분광법을 이용해 산화처리 조건을 달리하여 제조한 $Nd_{14}Fe_{80}B_6$ 조성의 리본합금 표면에서의 산화거동을 조사하였다. 산화 초기 "as-received" 상태의 표면 가장 바깥층은 Nd가 Fe에 비해 더욱 빨리 산화가 일어나 주로 Nd 산화물로 형성되고 Fe는 내부에서 금속상태로 존재하였다. 산화처리 시간이 증가하면 "as-received" 상태에 비해 가장 바깥층에 Fe의 상대적 조성이 증가하기 시작하였으며 산화가 진행됨에 따라 표면에서 먼저 형성된 Nd 산화층을 통해서 점진적으로 Fe 산화층이 형성되는 것으로 나타났다. 산화가 더욱더 진행되면 산화막 바깥층에는 Fe의 상대적 조성이 Nd의 조성 보다 오히려 풍부해지며 Nd는 바깥층보다 산화층 내부에서 풍부해지는 층상구조 형태의 산화막을 형성하였다.

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PLD를 이용한 HoMn1-x-FexO3 박막 제조 및 후방 산란형 뫼스바우어 분광 연구 (Characterization and Conversion Electron Mössbauer Spectroscopy of HoMn1-x-FexO3 Thin Films by Pulsed Laser Deposition)

  • 최동혁;심인보;김철성
    • 한국자기학회지
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    • 제17권1호
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    • pp.18-21
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    • 2007
  • Pulsed laser deposition(PLD) 박막 증착법을 이용하여 hexagonal $HoMn_{1-x}-Fe_xO_3$(x=0.0, 0.05) 물질을 박막으로 $Pt/Ti/SiO_2/Si$ 기판 위에 증착하였다. 또한 x-ray diffraction(XRD), atomic force microscopy(AFM), scanning electron microscope(SEM), 및 x-ray photoelectron spectroscopy(XPS)를 통하여 박막의 결정학적 및 미세 구조를 분석하였고, conversion electron $M\"{o}ssbauer$ spectroscopy(CEMS)를 이용하여 자기적 특성에 관해 연구하였다. 결정구조는 hexagonal 구조로써 space group이 $P6_3cm$로 분석되었고, single crystal과는 달리 (110) 방향으로 우선 배향성을 가지고 증착되었다. $HoMn_{0.95}Fe_{0.05}O_3$ 박막의 경우 single crystal과 비교했을 때 hexagonal unit cell의 $c_0$ 축은 일정하나 $a_0$ 축은 다소 감소함으로 분석되었다. 이는 박막 증착에 사용된 $Pt/Ti/SiO_2/Si$ 기판과의 lattice mismatch 때문으로 해석된다. Fe가 미량 치환된 $HoMn_{0.95}Fe_{0.05}O_3$ 박막을 상온에서 CEMS 측정을 수행한 결과, $HoMn_{0.95}^{57}Fe_{0.05}O_3$ 분말의 경우 magnetic $T_N$이 72K 부근이므로, 상온에서 doublet absorption spectrum이 관측되었고, 전기사중극자 분열값(quadrupole splitting; ${\Delta}E_Q$)이 $1.62{\pm}0.01mm/s$로 비교적 큰 값을 가짐을 확인하였다.

Density Functional Theory Demonstration of Anomeric Effect and Structure: Conformational and Configurational Analysis of N-2-(1,4-Dioxane)-N'-(4-methylbenzenesulfonyl)-O-(4-methylphenoxy) Isourea

  • Dabbagh, Hossein A.;Najafi Chermahini, Ali Reza;Modarresi-Alam, Ali Reza
    • Bulletin of the Korean Chemical Society
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    • 제26권8호
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    • pp.1229-1234
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    • 2005
  • The conformational, configurtational behavior and the structure of N-2-(1,4-Dioxane)-N'-(4-methylbenzenesulfonyl)-O-(4-methylphenoxy) isourea 1 has been studied using DFT method. Calculations predict the imidoyl amino group of the dioxane ring prefers axial conformation and that the tosyl and tolyl groups about the C=N bond retain E configuration. The anomeric effect controls the population of dioxane ring conformers, and anomers. Intramolecular hydrogen bonds contribute to the stability of E isomers. The computational analysis of 1 complements the X-ray findings.

Mo 패턴을 이용한 3-D 구조의 Cu2ZnSn (SxSe1-x)4 (CZTSSe) 박막형 태양전지 제작 (3-D Structured Cu2ZnSn (SxSe1-x)4 (CZTSSe) Thin Film Solar Cells by Mo Pattern using Photolithography)

  • 조은진;강명길;신형호;윤재호;문종하;김진혁
    • Current Photovoltaic Research
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    • 제5권1호
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    • pp.20-24
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    • 2017
  • Recently, three-dimensional (3D) light harvesting structures are highly attracted because of their high light harvesting capacity and charge collection efficiencies. In this study, we have fabricated $Cu_2ZnSn(S_xSe_{1-x})_4$ based 3D thin film solar cells on PR patterned Molybdenum (Mo) substrates using photolithography technique. Specifically, Mo patterns were deposited on PR patterned Mo substrates by sputtering and the thin Cu-Zn-Sn stacked layer was deposited over this Mo patterns by sputtering technique. The stacked Zn-Sn-Cu precursor thin films were sulfo-selenized to form CZTSSe pattern. Finally, CZTSSe absorbers were coated with thin CdS layer using chemical bath deposition and ZnO window layer was deposited over CZTSSe/CdS using DC sputtering technique. Fabricated 3-D solar cells were characterized by X-ray diffraction (XRD), X-ray fluorescence (XRF) analysis, Field-emission scanning electron microscopy (FE-SEM) to study their structural, compositional and morphological properties, respectively. The 3% efficiency is achieved for this kind of solar cell. Further efforts will be carried out to improve the performance of solar cell through various optimizations.

X-선 회절 분석법에 의한 고리화펜타디에닐 고리가 $\pi$-결합된 최초의 유기비스무트화합물의 구조결정 ($({\eta}^5-C_5Me_5)_2BiCl$, The First Organobismuth Compound with $\pi$-bonded Cyclopentadienyl Ring Analysized by X-ray Diffractometry)

  • ;신성희;공영건
    • 분석과학
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    • 제11권1호
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    • pp.42-46
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    • 1998
  • 고리화펜타디엔이 ${\pi}$-결합된 최초의 비스무트 화합물$({\eta}^5-C_5Me_5)_2BiCl$이 에데르 용매하에서 칼륨펜타메틸고리화펜타다이엔과 삼염화비스무트의 반응결과 짙은 보라색의 결정이 30%의 수율로 얻어졌다. 이 화합물의 분해 생성물로서 pentamethylcyclopentadienylbismuth chloride($PCpBiCl_2$)가 얻어졌으며 $({\eta}^5-C_5Me_5)_2BiCl$은 칼륨펜타메틸고리화펜타다이엔과 $-78^{\circ}C$에서 반응하지 않음을 확인하였다. $({\eta}^5-C_5Me_5)_2BiCl$의 구조가 192K에서 X선 단결정 구조분석 방법에 의해 밝혀졌다: triclinic crystal, space group p1, Z=2. $C_{20}H_{30}$의 이탈반응이 확인되었으며 고리화펜타다이엔의 두 고리가 C-C ${\sigma}$-단일 결합으로 이루어져 있다는 것이 X선 단결정 구조분석 방법에 의해 밝혀졌다.

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