• Title/Summary/Keyword: Single crystal X-ray diffraction

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Growth and Characterization of CuGaTe$_2$ Sing1e Crystal Thin Films by Hot Wall Epitaxy (Hot Wall Epitaxy (HWE) 방법에 의한 CuGaTe$_2$ 단결정 박막 성장과 특성)

  • 유상하;홍광준
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2002.07a
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    • pp.273-280
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    • 2002
  • The stochiometric mix of evaporating materials for the CuGaTe$_2$ single crystal thin films was prepared from horizontal furnance. For extrapolation method of X-ray diffraction patterns for the CuGaTe$_2$ polycrystal, it was found tetragonal structure whose lattice constant a$\_$0/ and c$\_$0/ were 6.025 ${\AA}$ and 11.931 ${\AA}$, respectively. To obtain the single crystal thin films, CuGaTe$_2$ mixed crystal was deposited on throughly etched semi-insulator GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were 670 $^{\circ}C$ and 410 $^{\circ}C$ respective1y, and the thickness of the single crystal thin films is 2.1 $\mu\textrm{m}$. The crystalline structure of single crystalthin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). Hall effect on this sample was measured by the method of van der Pauw and studied on carrier density and mobility dependence on temperature. The carrier density and mobility of CuGaTe$_2$ single crystal thin films deduced from Hall data are 8.72${\times}$10$\^$23/㎥, 3.42${\times}$10$\^$-2/㎡/V$.$s at 293K, respectively. From the photocurrent spectrum by illumination of perpendicular light on the c - axis of the CuGaTe$_2$ single crystal thin film, we have found that the values of spin orbit coupling Δs.o and the crystal field splitting Δcr were 0.0791 eV and 0/2463eV at 10K, respectively. From the PL spectra at 10K, the peaks corresponding to free bound excitons and D-A pair and a broad emission band due to SA is identified. The binding energy of the free excitons are determined to be 0.0470eV and the dissipation energy of the donor -bound exciton and acceptor-bound exciton to be 0.0490eV, 0.00558eV, respectively.

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The Crystal Structure of Cinmetacin ($C_{21}H_{19}NO_4$), A Non-steroidal Antiinflammatory Agent

  • Kim, Yang-Bae;Park, Il-Yeong;Park, Yang-Hwan
    • Archives of Pharmacal Research
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    • v.12 no.1
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    • pp.52-57
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    • 1989
  • The structure of cinmetacin was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of acetone and water in orthorhombic, space group $P2_12_12_1$, with Z=4, a=35.681(8), b=9.482(2), c:5.071(1) ${\AA}$, $D_x=1.352 g/cm^3$, and $D_m=1.35g/cm^3$. The structure was solved by direct method and refined by least-squares procedure to the final R value of 0.036 for 1441 observed reflections ($F{\geq}3{\sigma}(F)$). The carboxyl group of the molecule is nearly perpendicular to the indole ring. The dihedral angle between indole ring and phenyl group is $64.5^{\circ}$. The molecules are linked together via O(1)-H ----O(3) hydrogen bonds, and arranged along 2-fold screw axis in the crystal. The intermolecular contacts are the normal van der Waals' forces.

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High-Performance Single-Crystal Organic Nanowire Field-Effect Transistors of Indolocarbazole Derivatives

  • Park, Gyeong-Seon;Jeong, Jin-Won;Seong, Myeong-Mo
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.368-368
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    • 2012
  • We report solution-processed, high-performance single-crystal organic nanowire transistors fabricated from a novel indolocarbazole (IC) derivative. The direct printing process was utilized to generate single-crystal organic nanowire arrays enabling the simultaneous synthesis, alignment and patterning of nanowires using molecular ink solutions. Using this method, single-crystal organic nanowires can easily be synthesized by self-assembly and crystallization of organic molecules within the nanoscale channels of molds, and these nanowires can then be directly transferred to specific positions on substrates to generate nanowire arrays by a direct printing process. These new molecules are particularly suitable for p-channel organic field-effect transistors (OFETs) because of the high level of crystallinity usually found in IC derivatives. Selected area diffraction (SAED) and X-ray diffraction (XRD) experiments on these solution-processed nanowires showed high crystallinity. Transistors fabricated with these nanowires gave a hole mobility as high as 1.0 cm2V-1s-1 with nanowire arrays with the direct printing process.

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The Crystal Structure of Naproxen Sodium, ($C_{14}H_{13}O_3Na$), A Non-steroidal Antiinflammatory Agent

  • Kim, Yang-Bae;Park, Il-Yeong;Lah, Woon-Ryong
    • Archives of Pharmacal Research
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    • v.13 no.2
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    • pp.166-173
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    • 1990
  • The structure of the anti-inflammatory agent, naproxen sodium was determined by single crystal X-ray diffraction analysis. Crystal of the compound, which was recrystallized from methanol solution, is nomoclinic, space group $P2_1$ with a = 21. 177(6), b = 5.785(2), c = 5.443(2) $\AA, \beta$ = 91.41(3)$\{\circ}$ and Z = 2. The calculated density is 1.346; the observed value is nements based on 1093 reflections ($F\geq3\sigma$(F)) gave the final R value of 0.043. There are of one water per one compound molecule in the crystal. The carboxyl group of the molecule is nearly perpendicular to the naphthalene ring. The molecules are arranged along with the screw axis, and stabilized by five 0...Na type interactions. The molecule retains nearly same dimensions and similar conformation compared to its parent compound, naproxen, except for the torsion angles around C(5)-C(11) bond.

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The Crystal Structure of KR-27042, An Analgesic Capsaicinoid

  • Park, No-Sang;Kim, Yang-Bae;Jeong, Eun-Ju;Chung, Uoo-Tae;Park, Il-Yeong
    • Archives of Pharmacal Research
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    • v.25 no.1
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    • pp.25-27
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    • 2002
  • The crystal structure of KR-21042, N-(3-Phenylpropyl )-4-hydroxy-3-methoxyphenylacetamide, was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of ethylacetate and n-hexane in monoclinic, space group $P2_1/c$, with a = 16.622(1), b = 6.215(1), c = 15.802(1) ${\AA},{\;}{\beta}=104.97(1)$, and Z = 4 The calculated density is $1.261{\;}g/cm^3$The structure was solved by the direct method and refined by full matrix least-squares procedure to the fecal R value of 0.068 for 2332 observed reflections.

Construction of a 2D Co(II) Coordination Polymer with (4,4)-Connected Topology: Synthesis, Crystal Structure, and Surface Photo-electric Property

  • Li, Jia-Ming
    • Bulletin of the Korean Chemical Society
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    • v.35 no.4
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    • pp.1177-1181
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    • 2014
  • A 2D grid-like (4, 4)-connected topology coordination polymer, $[Co(BTA)_2(H_2O)_2]_n$ (1), where HBTA = 2-(1H-benzotriazol-1-yl)acetic acid, has been synthesized by hydrothermal method and characterized by single crystal X-ray diffraction, IR spectroscopy, elemental analysis and surface photovoltage spectroscopy (SPS). X-ray diffraction analyses indicated that 1 displays octahedral metal centers with secondary building units (SBUs) [$Co(BTA)_2(H_2O)_2$] bridged by the $BTA^-$ ligands. In the crystal, the 2D supramolecular architecture is further supported by $O-H{\cdots}O$, $O-H{\cdots}N$, $C-H{\cdots}O$ hydrogen bonds and ${\pi}{\cdots}{\pi}$ stacking interactions. The SPS of polymer 1 indicates that there are positive response bands in the range of 300-600 nm showing photo-electric conversion properties. There are good relationships between SPS and UV-Vis spectra.

The crystal structure of pirprofen$(C_{3},\; H_{14},\; ClNO_2$), a non-steroidal antiinflammmatory agent

  • Kim, Yang-Bae;Park, Il-Yeong
    • Archives of Pharmacal Research
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    • v.19 no.1
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    • pp.71-73
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    • 1996
  • The molecular structure of pirprofen, 3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)-.alpha.-methyl-benzeneacetic acid, was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of chloroform and toluene in triclinic, space group P over $\bar1,\; with\; a=4.577(1),\; b=11.213(2),\; C=12.485(2){\AA},\alpa.=107.39(1),\;\beta=97.79(1),\;\gamma=92.03(2),\; and Z=2$ The calculated density is $1.384 g/cm^3$. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0.034 for 1681 independent reflections. The non-aromatic dihydropyrrol group is found to be coplanar to the central aromatic ring. The molecules are dimerized through the intermolecular hydrogen bonds at the carboxyl group in the crystal.

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Crystal Structure and Thermal Properties of the Lanthanum(Ⅲ) Complex with Triethylenetetraaminehexaacetic Acid: $K_3$[La(TTHA)]· $5H_2O$

  • 김종혁;이석근
    • Bulletin of the Korean Chemical Society
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    • v.20 no.4
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    • pp.417-421
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    • 1999
  • The complex, K3[La(TTHA)]5H,O, was prepared and its crystal structure was analyzed by single crystal X-ray diffraction method. In the complex, the La(Ⅲ) ion adopts a ten-coordinate geometry with four nitrogen atoms and six carboxyl oxygen atoms from the same TTHA ligand molecule. Its coordination polyhedron can be described as a distorted bicapped square antiprism. Each [La(TTHA)]3- anion is linked by K+ cations via carboxyl groups of TTHA ligand to form a three dimensional crystal structure. The thermal properties were investigated by TG and DTA techniques in argon atmosphere. The materials resulting from thermal treatment were La(OH)3 and K2O which were identified by powder X-ray diffraction technique.

Fabrication of Single Crystal Poly (3,4-ethylenedioxythiophene) Nanowire Arrays by Vapor Phase Polymerization with Liquid-bridge-mediated Nanotransfer Molding

  • Lee, Gi-Seok;Jo, Bo-Ram;Seong, Myeong-Mo
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.372-372
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    • 2012
  • We have studied a fabrication of Poly (3,4-ethylenedioxythiophene) (PEDOT) wire arrays and structures with various feature sizes from hundreds micrometers to tens nanometers. PEDOT is well-known as a conducting material, can be grown by a vapor pressure polymerization (VPP) method. The VPP technique is a bottom-up processing method that utilizes the organic arrangement of macromolecules to easily produce ordered aggregates. Also, liquid-bridge-mediated nanotransfer molding (LB-nTM), which was reported as a new direct patterning method recently, is based on the direct transfer of various materials from a mould to a substrate through a liquid bridge between them. The PEDOT nanowires grown by VPP method and transferred on a substrate to use LB-nTM method have been investigated by Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Selected Area Electron Diffraction (SAED), X-Ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), and electrical properties.

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Synthesis and Characterization of Group 13 Compounds of 2-Acetylpyridine Thiosemicarbazone. Single-Crystal Structure of $(iC_4H_9)-2Al(NC_5H_4C(CH_3)$NNC(S)NHPh)

  • 강영진;강상옥;고재정;손정인
    • Bulletin of the Korean Chemical Society
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    • v.20 no.1
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    • pp.65-68
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    • 1999
  • Novel mononuclear group 13 metal complexes with the formula (R2M){NC5H4C(CH3)NNC(S)NH(C6H5)} (M=Al, R=iC4H9 (1); M=Ga, R=iC4H9 (2); M=Al, R=CH2SiMe3 (3); M=Ga, R=CH2SiMe3 (4)) result when 2-acetyl pyridine 4-phenyl-thiosemicarbazone ligand is mixed with trialkyl aluminum or trialkylgallium. These compounds 1-4 are characterized by microanalysis, NMR (1H, 13C) spectroscopy, mass spectra, and singlecrystal X-ray diffraction. X-ray single-crystal diffraction analysis reveals that 1 is mononuclear metal compound with coordination number of 5 and N, N, S-coordination mode.