• Title/Summary/Keyword: organic single crystal

Search Result 109, Processing Time 0.024 seconds

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
    • Journal of Integrative Natural Science
    • /
    • v.6 no.4
    • /
    • pp.197-204
    • /
    • 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.

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

  • Song, Jeong Hwa
    • Journal of the Korean Crystal Growth and Crystal Technology
    • /
    • v.32 no.5
    • /
    • pp.199-204
    • /
    • 2022
  • A new three-dimensional Gd-MOF, [Gd(p-XBP4)4(H2O)]·W(CN)8; (1; p-XBP4 = N,N'-p-phenylenedimethylenbis (pyridin-4-one)) has been synthesized by slow-evaporation and its crystal structure was characterized by single-crystal X-ray diffraction (SCXRD) analysis. For each GdIII ion, there are seven coordination sites, which are occupied by six oxygen atoms of six p-XBP4 ligands and one oxygen atom from the water molecule. The [W(CN)8]3- anion exists for charge balance with cationic framework. The GdII ions are interconnected by the p-XBP4 ligand to form the three-dimensional structure. Considering the magnetic property of lanthanide ions, magnetic studies of Gd-MOF were investigated by direct-current (DC) magnetic susceptibilities measurements.

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.
    • Journal of the Korean Crystal Growth and Crystal Technology
    • /
    • v.13 no.4
    • /
    • pp.153-156
    • /
    • 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
    • Journal of Integrative Natural Science
    • /
    • v.8 no.1
    • /
    • pp.19-29
    • /
    • 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.
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2012.02a
    • /
    • pp.537-537
    • /
    • 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.

  • PDF

Synthesis of CuO from organic-inorganic hybrid (유기-무기 복합소재로부터 CuO합성)

  • Huh Young-Duk;Kweon Seok-Soon;Kuk Won-Kwen
    • Journal of the Korean Crystal Growth and Crystal Technology
    • /
    • v.15 no.5
    • /
    • pp.193-197
    • /
    • 2005
  • CuO has been synthesized using the layered organic-inorganic hybrids, $Cu_2(OH)_3(CH_3COO){\cdot}H_2O$ as precursor. The simple thermal decomposition of $Cu_2(OH)_3(CH_3COO){\cdot}H_2O$ is used without any external organic templates. This method provides large-scale production at a low cost of the single-crystalline CuO particles. The morphology of CuO aggregated particles is strongly dependent on structure of the precursor.

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
    • Journal of Integrative Natural Science
    • /
    • v.8 no.3
    • /
    • pp.192-203
    • /
    • 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.

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

  • Song, Jeong Hwa
    • Journal of the Korean Crystal Growth and Crystal Technology
    • /
    • v.32 no.6
    • /
    • pp.225-230
    • /
    • 2022
  • A new two-fold interpenetrating two-dimensional (2D) Tb(III) metal-organic framework (MOF), [Tb(p-XBP4)2.5(H2O)2]·W(CN)8 (1), was prepared using a p-XBP4 (N,N'-p-phenylenedimethylenbis(pyridin-4-one)), Cs3[W(CN)8], and Tb(NO3)3·6H2O. The single crystal X-ray diffraction indicated that Tb-MOF exhibits a unique two-fold interpenetrating 2-D framework. It was also characterized through Fourier transform infrared spectroscopy (FTIR), and single and powder X-ray diffraction. To probe the molecular magnetic behavior, the magnetic properties of Tb-MOF were investigated by direct-current (DC) and alternating-current (AC) magnetic susceptibilities measurements and discussed.

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
    • /
    • v.73 no.11
    • /
    • pp.1729-1734
    • /
    • 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.