• 제목/요약/키워드: organic single crystal

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Crystal and Molecular Structure of 4,6-Dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo [8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5,11-trione 2-ethoxyphenyl (2E)-but-2-enoate

  • Ganapathy, Jagadeesan;Damodharan, Kannan;Manickam, Bakthadoss;Sanmargam, Aravindhan
    • 통합자연과학논문집
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    • 제6권4호
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    • pp.197-204
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    • 2013
  • The crystal structure of the potential active 4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo [8.8.0.02,7.013,18] octadeca-2(7),13,15,17-tetraene-3,5,11-trione 2-ethoxyphenyl (2E)-but-2-enoate ($C_{22}H_{18}N_2O_5$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group $P_12_1/c_1$ with unit cell dimension a=15.2039(8), b=12.3888(6) and c= 9.8162(5) [alpha & $gamma=90^{\circ}$ beta=98.113(2)]. In the structure fused pyrone and pyran rings each adopt a sofa/envelop conformation. The crystal structure is stabilized by intramolecular C-H... O hydrogen bond interaction.

증발법으로 합성된 신규 가돌리늄 금속-유기골격체의 단결정 구조 분석 및 자성학적 특성 연구 (Structure analysis, and magnetic study of a new Gd-metal-organic framework single crystal grown by the slow-evaporation method)

  • 송정화
    • 한국결정성장학회지
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    • 제32권5호
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    • pp.199-204
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    • 2022
  • 유연한 구조의 p-XBP4 리간드를 활용하여 새로운 3차원 구조의 Gd-MOF를 합성하고 단결정 회절 분석기를 활용하여 정확한 구조를 분석하였다. 중심 금속인 Gd는 6개의 p-XBP4와 1개의 물 분자에 의해 총 7배위 되어 있으며, W(CN)8는 배위되지 않고 전하 균형을 맞추기 위해 구조체 내에 위치하고 있다. 중심 금속인 Gd는 배위된 p-XBP4에 의해 이웃한 Gd와 연결되어 3차원의 입체구조를 형성한다. 란탄 금속의 특성을 고려하여 직류 자화율 측정을 활용하여 자성 특성에 대한 연구를 진행하였다.

Effect of ethylenediamine tetra acetic acid additive on the nucleation kinetics and growth aspects of L-arginine phosphate single crystals

  • Kumar, R.Mohan;Babu, D.Rajan;Ravi, G.;Jayavel, R.
    • 한국결정성장학회지
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    • 제13권4호
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    • pp.153-156
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    • 2003
  • Pure and Ethylenediaminetetraacetic acid (EDTA) doped L-arginine phosphate (LAP) single crystals were grown from the aqueous solution by temperature lowering method. The effect of EDTA additive on the solubility and metastable zone width of LAP solution has been investigated. Addition of EDTA has enhanced the metastable zone width of LAP and hence bulk crystals could be grown. The growth rate along the [100] direction increases with EDTA additive. Powder X-ray diffraction and FTIR studies reveal the absence of EDTA in the lattice of LAP, This reveals that the addition of EDTA to LAP doesn't influence the crystallinity. However, the transmittance and NLO properties significantly increase with EDTA additive and hence bulk LAP crystals are useful for laser fusion experiments.

Crystal Structure Theory and Applications of 14-Ethoxy-4,6,-dimethyl-8.12- dioxa-4.6-diazatetracyclo [8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione

  • Ganapathy, Jagadeesan;Sivakumar, G.;Manickam, Bakthadoss;Sanmargam, Aravindhan
    • 통합자연과학논문집
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    • 제8권1호
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    • pp.19-29
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    • 2015
  • In view of the growing medicinal importance of chromene and its derivatives, the single crystal X-ray diffraction study was carried out for the potential active 4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo [8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5,11-trione-2-ethoxyphenyl (2E)-but-2-enoate ($C_{18}H_{20}N_2O_5$). In the title compound are two molecules exist in the asymmetric unit. It crystallizes in the monoclinic space group $P2_1/c$ with unit cell dimension a=14.608(3) ${\AA}$, b=12.845(3) and c= 17.781(4) [alpha & gamma=$90^{\circ}$ beta=$91.233(5)^{\circ}$]. Both pyran and pyran ring of the chromene moiety adopts sofa conformation in the molecule A & B. The crystal structure is stabilized by intramolecular C-H...O hydrogen bond interaction.

Fabrication of Single Crystal Poly(3,4-ethylenedioxythiophene) Nanowire Arrays

  • Cho, Bo-Ram;Sung, Myung-M.
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2012년도 제42회 동계 정기 학술대회 초록집
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    • pp.537-537
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    • 2012
  • We have studied a fabrication of vapor phase polymerized Poly(3,4-ethylenedioxythiophene) (PEDOT) nanowire arrays for the first time. The vapor-phase polymerization (VPP) technique is a bottom-up processing method that utilizes the organic arrangement of macromolecules to easily produce ordered aggregates, including on the nanoscale, or prepare thin films of self-assembled molecules, micropatterns, or modified microstructures of pure conducting polymers. Also, liquid-bridge-mediated nanotransfer molding (LB-nTM), which was reported as a new direct patterning method recently, is for the arrayed formation of two- or three-dimensional structures with feature sizes as small as tens of nanometers over large areas up to 4 inches across and 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 fabricated to single crystal PEDOT nanowires investigated 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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유기-무기 복합소재로부터 CuO합성 (Synthesis of CuO from organic-inorganic hybrid)

  • 허영덕;권석순;국원근
    • 한국결정성장학회지
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    • 제15권5호
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    • pp.193-197
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    • 2005
  • 층상 구조의 유기-무기 복합 소재 $Cu_2(OH)_3(CH_3COO){\cdot}H_2O$를 전구체로 사용하여 CuO를 합성하였다. 외부의 다른 유기화합물 주형이 없이 단순한 $Cu_2(OH)_3(CH_3COO){\cdot}H_2O$의 열분해 방법을 사용하였다 이 방법은 저렴한 가격으로 단일 결정의 CuO 입자를 양산하는 방법을 제공한다 응집된 CuO 입자의 형태는 전구체의 구조에 크게 영향을 받는다.

Structural Analysis of 2-Benzyl-3-[3-(4-bromo-phenyl)-1-phenyl-1H-pyrazol-4yl]-4,6-dioxo-5-phenyl-octahydro-pyrrolo[3,4-C]pyrrole-1-carboxylic Acid Ethyl Ester through X-ray Crystallography

  • Ganapathy, Jagadeesan;Pramesh, M.;Perumal, P.T.;Sanmargam, Aravindhan
    • 통합자연과학논문집
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    • 제8권3호
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    • pp.192-203
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    • 2015
  • In view of the growing medicinal importance of pyrazole and its derivatives, the single crystal X-ray diffraction study was carried out for the potential active 2-Benzyl-3-[3-(4-bromo-phenyl)-1-phenyl-1H-pyrazol-4yl]-4,6-dioxo-5-phenyl-octahydro-pyrrolo[3,4-C]pyrrole-1-carboxylic acid ethyl ester ($C_{37}H_{31}BrN_4O_4$, H2O). In the title compound are two molecules exist in the asymmetric unit. It crystallizes in the monoclinic space group $P{\hat{i}}$ with unit cell dimension $a=13.361(18){\AA}$, $b=13.424(17){\AA}$ and $c=21.649(2){\AA}$ [${\alpha}=80.745(9)^{\circ}$, ${\beta}=79.770(10)^{\circ}$ and ${\gamma}=60.788(6)^{\circ}$]. The pyrazole ring adopts planar conformation. The sum of the bond angles at nitrogen atom of the pyrazole ring indicates the $Sp^2$ hybridized state. The crystal structure is stabilized by intramolecular C-H...O hydrogen bond interaction.

이중 상호 침투 구조를 갖는 신규 터븀(III) 기반 금속-유기 골격체의 합성 및 특성연구 (Synthesis and characterization of the two-fold interpenetrated Tb(III)-based metal-organic framework)

  • 송정화
    • 한국결정성장학회지
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    • 제32권6호
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    • pp.225-230
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    • 2022
  • p-XBP4 (N,N'-p-phenylenedimethylenbis(pyridin-4-one)), Cs3[W(CN)8]와 Tb(NO3)3·6H2O를 사용하여 2차원의 이중 상호 침투 구조를 갖는 새로운 Tb-MOF인 [Tb(p-XBP4)2.5(H2O)2]·W(CN)8를 합성하였다. 단결정 X선 회절 분석법으로 얻어진 구조 정보를 통해 Tb-MOF는 이중 상호 침투된 독특한 2차원 구조임을 확인하였다. 또한, 적외선 분광 분석법, 단결정 및 분말 X-선 회절 분석법을 활용하여 추가적인 특성 분석을 수행하였다. Tb-MOF가 갖는 자성 특성과 분자 자석으로서의 거동 가능성을 조사하기 위해, 직류 자화율 및 교류 자화율을 측정하고 이를 분석하였다.

Temperature Driven Phase Transition of Organic-Inorganic Halide Perovskite Single Crystals

  • Byun, Hye Ryung;Kim, Hyo In;Byun, Su Jeong;Park, Dae Young;Jeong, Mun Seok;Byeon, Clare Chisu
    • Journal of the Korean Physical Society
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    • 제73권11호
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    • pp.1729-1734
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    • 2018
  • Organic-inorganic halide perovskite single crystals undergo phase transition of being cubic, tetragonal, or orthorhombic depending on the temperature. We investigated the $CH_3NH_3PbBr_{3-x}I_x$ single crystals grown by the inverse temperature crystallization method with temperature-dependent UV-Vis absorption and photoluminescence. From the temperature-dependent absorption measurement, the optical band gap is extracted by derivation of absorption spectrum fitting and Tauc plot. In our results, $CH_3NH_3PbBr_{3-x}I_x$ single crystals show that an abrupt change in optical band gap, PL peak position and intensity appears around 120 K - 170 K regions, indicating the phase transition temperature.