• Title/Summary/Keyword: Organic molecular structures

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Insertion of Alkali Metals into Open Framework, TaPS6 by Using Alkali Metal Halide Fluxes: Single Crystal Structures of K0.18TaPS6, K0.28TaPS6, and Rb0.09TaPS6

  • Do, Jung-Hwan;Dong, Yong-Kwan;Kim, Jung-Wook;Hahn, Song-I;Yun, Ho-Seop
    • Bulletin of the Korean Chemical Society
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    • v.26 no.8
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    • pp.1260-1264
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    • 2005
  • Three new quaternary tantalum thiophosphates, $K_{0.18}TaPS_6,\;K_{0.28}TaPS_6,\;and\;Rb_{0.09}TaPS_6$ have been synthesized by using reactive alkali metal halide fluxes and structurally characterized by single crystal X-ray diffraction techniques. The crystal structures of $K_{0.18}TaPS_6,\;K_{0.28}TaPS_6,\;and\;Rb_{0.09}TaPS_6$ contain 3-dimensional open framework anions, $[TaPS_6]^{x-}$(x = 0.09, 0.18, 0.28) with the empty channel which disordered alkali metal cations, $K^+\;and\;Rb^+$ are located in. Crystal data: $K_{0.18}TaPS_6$, tetragonal, space group$I4_1$/acd (no. 142), a=15.874(3) $\AA$, c=13.146(4) $\AA$, V=3312.7(12) ${\AA}^3$, K, Z=16, R1=0.0545. Crystal data: $K_{0.28}TaPS_6$, tetragonal, space group $I4_1$/acd (no. 142), a=15.880(2) $\AA$, c=13.134(3) $\AA$, V=3312.1(10) ${\AA}^3$, Z=16, R1=0.0562. Crystal data: $Rb_{0.09}TaPS_6$, tetragonal, space group I41/acd (no. 142), a=15.893(3) $\AA$, c=13.163(4) $\AA$, V=3324.7(15) ${\AA}^3$, Z=16, R1=0.0432.

Effect of Molecular Structures on the Solubility Enhancement of Organic Contaminants by Amphiphiles (양수성 물질에 의한 유기오염물질의 수중 용해도 증가에 분자구조가 미치는 영향)

  • Cho, Hyun-Hee;Park, Jae-Woo
    • Journal of Korean Society of Environmental Engineers
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    • v.22 no.4
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    • pp.755-764
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    • 2000
  • Fate and transport of hydrophobic organic contaminants can be influenced by naturally-existing humic substances and surfactants applied to wash polluted soils in the subsurface environment. The objective of this paper is to study the solubility enhancement of four PAHs (polycyclic aromatic hydrocarbon) and p,p'-DDT in humic acid and surfactant solutions. As the number of aromatic ring is increased, the extent of solubility enhancement of PAHs by humic acid increased. Although the hydrophobicity of p,p'-DDT was the largest among five organic compounds used, the extent of solubility enhancement of p,p'-DDT by humic acid was lower than that of pyrene. In case of anionic surfactants, the extent of the increased solubility of five organic compounds by SDS and SDDBS was increased linearly, but the extent of the increased solubility of p,p'-DDT by MADS-12 was lower than that of perylene.

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Precise Synthesis of Dendron-Like Hyperbranched Polymers and Block Copolymers by an Iterative Approach Involving Living Anionic Polymerization, Coupling Reaction, and Transformation Reaction

  • Hirao Akira;Tsunoda Yuji;Matsuo Akira;Sugiyama Kenji;Watanabe Takumi
    • Macromolecular Research
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    • v.14 no.3
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    • pp.272-286
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    • 2006
  • Dendritic hyperbranched poly(methyl methacrylate)s (PMMA)s, whose branched architectures resemble the 'dendron' part(s) of dendrimer, were synthesized by an iterative methodology consisting of two reactions in each iteration process: (a) a coupling reaction of u-functionalized, living, anionic PMMA having two tert-butyldimethylsilyloxymethylphenyl(SMP) groups with benzyl bromide(BnBr)-chain-end-functionalized PMMA, and (b) a transformation reaction of the introduced SMP groups into BnBr functionalities. These two reactions, (a) and (b), were repeated three times to afford a series of dendron-like, hyperbranched (PMMA)s up to third generation. Three dendron-like, hyperbranched (PMMA)s different in branched architecture were also synthesized by the same iterative methodology using a low molecular weight, functionalized 1,1-diphenylalkyl anion prepared from sec-BuLi and 1,1-bis(3-tert-butyldime-thylsilyloxymethylphenyl)ethylene in the reaction step (b) in each iterative process. Furthermore, structurally similar, dendron-like, hyperbranched block copolymers could be successfully synthesized by the iterative methodology using $\alpha$-functionalized, living, anionic poly(2-(perfluorobutyl) ethyl methacrylate) (PRfMA) in addition to $\alpha$-functionalized, living PMMA. Accordingly, the resulting block copolymers were comprised of both PMMA and PRfMA segments with different sequential orders. After the block copolymers were cast into films and annealed, their surface structures were characterized by angle-dependent XPS and contact angle measurements. All three samples showed significant segregation and enrichment of PRfMA segments at the surfaces.

Recent Progress on Metal-Organic Framework Membranes for Gas Separations: Conventional Synthesis vs. Microwave-Assisted Synthesis (기체분리용 금속유기구조체 분리막의 최근 연구 동향 및 성과)

  • Ramu, Gokulakrishnan;Jeong, Hae-Kwon
    • Membrane Journal
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    • v.27 no.1
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    • pp.1-42
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    • 2017
  • Metal-organic frameworks (MOFs) are nanoporous materials that consist of organic and inorganic moieties, with well-defined crystalline lattices and pore structures. With a judicious choice of organic linkers present in the MOFs with different sizes and chemical groups, MOFs exhibit a wide variety of pore sizes and chemical/physical properties. This makes MOFs extremely attractive as novel membrane materials for gas separation applications. However, the synthesis of high-quality MOF thin films and membranes is quite challenging due to difficulties in controlling the heterogeneous nucleation/growth and achieving strong attachment of films on porous supports. Microwave-based synthesis technology has made tremendous progress in the last two decades and has been utilized to overcome some of these challenges associated with MOF membrane fabrication. The advantages of microwaves as opposed to conventional synthesis techniques for MOFs include shorter synthesis times, ability to achieve unique and complex structures and crystal size reductions. Here, we review the recent progress on the synthesis of MOF thin films and membranes with an emphasis on how microwaves have been utilized in the synthesis, improved properties achieved and gas separation performance of these films and membranes.

Observation of Electrical and Optical Images of Organic Thin Films Using SPM (SPM을 이용한 유기박막의 전기.광학 이미지 관찰)

  • Yoo, Seung-Yeop;Lee, Seung-Jun;Jin, Chel-Nam;Shin, Hoon-Kyu;Kwon, Young-Soo
    • Proceedings of the KIEE Conference
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    • 1999.07d
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    • pp.1777-1779
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    • 1999
  • SMM is a dynamic noncontact electric force microscopy that allows simultaneous access to the electrical properties of molecular system such as surface potential, surface charge, dielectric constant and conductivity along with the topography. SNOAM is a new tool for surface imaging which was introduced as one application of AFM. Operated with non-contact forces between the optical fiber and sample as well as equipped with the piezoscanners, the instrument reports on surface topology without damaging or modifying the surface for measuring of optical characteristic in the films. Here we report our recent results of its application to nanoscopic study of domain structures and electrical functionality in organic thin films by SMM. Furthermore, we have illustrated the SNOAM image in obtaining the merocyanine dye films as well as the optical image.

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Self-assembly and Mechanism of L-Alanine-based Dihydrazide Derivative as Excellent Gelator of Organic Solvents

  • Wang, Chuan-Sheng;Wang, Xiao-Hong;Li, Zhi-Yuan;Wei, Wei;Shi, Zhong-Liang;Sui, Zhi-Tong
    • Bulletin of the Korean Chemical Society
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    • v.32 no.4
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    • pp.1258-1262
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    • 2011
  • A new organogelator, L-Alanine dihydrazide derivative can self-assemble in various organic solvents and turned them into thermally reversible physical supramolecular organogels at extremely low concentrations (< 2 wt %). The gel-sol phase transition temperatures ($T_{GS}$) were determined as a function of gelator concentration and the corresponding enthalpies (${\Delta}H_g$) were extracted. Scanning electron microscopy (SEM) measurements revealed that the interspaces of fiber-like network structures were diminished with the increasing of the LMOG concentration. FT-IR spectroscopy studies revealed that hydrogen-bonding and hydrophobic interaction were the driving forces for the formation of the gels. Based on the data of XRD and molecular modeling, the possible packing modes for the formation of organogelator aggregates were proposed.

Estimated Photodegradation Properties of Acetanilide Using AOPWIN (AOPWIN을 이용한 Acetanilide의 광부해 특성 평가)

  • 권민정;최윤호;송상환;박혜연;구현주;전성환;나진균;박광식
    • Environmental Analysis Health and Toxicology
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    • v.16 no.3
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    • pp.139-142
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    • 2001
  • Acetanilide is a High Production Volume Chemical, which is produced about 2,300 tons/year in Korea as of 1998 survey. Most is used as an intermediate for synthesis of pharmaceuticals and dyes, and the chemical is one of seven chemicals of which human and environmental risk are being assessed by National Institute of Environmental Research under the frame of OECD SIDS program. The Atmospheric Oxidation Program for Microsoft Windows (AOPWIN) is used to estimates the rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals. It is also used to estimates the rate constant for the gas-phase reaction between ozone and olefinic/acetylenic compounds. The rate constants estimated by the program are then used to calculate atmospheric half-lives for organic compounds based upon average atmospheric concentrations of hydroxyl radicals and ozone. AOPWIN requires only a chemical structure to make these predictions. Structures are entered into AOPWIN by SMILES (Simplified Molecular Input Line Entry System) notations. In this study, one of environmental fate/distribution of the chemical elements, photodegradation of acetanilide was estimated using AOPWIN model based on SMILES notation and chemical name data.

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Fully Organic PIN OLEDs with High Power Efficiency and Long Lifetime for the Use in Display and Lighting Applications

  • Blochwitz-Nimoth, Jan;Birnstock, Jan;Wellmann, Philipp;Werner, Ansgar;Romainczyk, Tilmann;Limmert, Michael;Grubing, Andre
    • 한국정보디스플레이학회:학술대회논문집
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    • 2005.07b
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    • pp.955-962
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    • 2005
  • Power efficiency, lifetime and stable manufacturing processes are the crucial parameters for the success of organic light emitting diodes (OLEDs) in display and lighting applications. Highest power efficiencies of PIN-OLEDs for all principal colours and for bottom and top emission OLED structures have been demonstrated. The PIN structure, which means the incorporation of intentionally doped charge carrier transport layer in a suitable OLED layer setup, lowers the operating voltage to achieve highest power efficiencies. Up to now the n-doping of the electron transport layer has been done by alkali metal co-deposition. This has main draw-backs in terms of manufacturability, since the handling of large amounts of pure Cs is a basic issue in production lines. Here we present in detail results on PIN-OLEDs comprising a newly developed molecular n-dopant. All the previous OLED performance data based on PIN-OLEDs with alkali metal doping could be reproduced and will be further improved in the future. Hence, for the first time, a full manufacturing compatible PIN-OLED is available.

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Temperature and the Interfacial Buffer Layer Effects on the Nanostructure in the Copper (II) Phthalocyanine: Fullerene Bulk Heterojunction

  • Kim, Hyo Jung;Kim, Jang-Joo;Jeon, Taeyeol;Kong, Ki Won;Lee, Hyun Hwi
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.275.1-275.1
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    • 2014
  • The effects of the interfacial buffer layer and temperature on the organic bulk heterojunction (BHJ) nanostructures of copper phthalocyanine (CuPc) and fullerene (C60) systems were investigated using real time in-situ x-ray scattering. In the CuPc:C60 BHJ structures, standing-on configured ${\gamma}$-CuPc phase was formed by co-deposition of CuPc and C60. Once formed ${\gamma}$-phase was thermally stable during the annealing upon $180^{\circ}C$. Meanwhile, the insertion of CuI buffer layer prior to deposition of the CuPc:C60 BHJ layer induced lying-down configured CuPc crystals in the BHJ layer. The lying CuPc peak intensity and the lattice parameter were increased by the thermal annealing. This increment of the intensity seemed to be related to the strain at the interface between CuPc:C60 and CuI, which was proportional to the enhancement of the power conversion efficiency of the device.

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Low-Molecular-Weight White Organic-Light-Emitting-Devices using Direct Color Mixing Method

  • Lee, Sung-Soo;Song, Tae-Joon;Ko, Myung-Soo;Cho, Sung-Min
    • Journal of Information Display
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    • v.3 no.2
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    • pp.6-12
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    • 2002
  • In order to achieve white emission from organic light emitting devices (OLEDs), five distinct structures were fabricated and tested. The white emission was obtained using two different color-emitting materials (yellow from rubrene-doped $Alq_3$ and blue from DPVBi) with or without a carrier-blocking layer. For enhancing the red emission, two types of devices with three-color emitting materials were fabricated. The white emission, close to the CIE coordinate of (0.3,0.3), was achieved by using two blocking layers as well that as without a blocking layer. This paper covers the subject of controlling the location of exciton recombination zone. It has been found that there is a trade-off in that the devices with three color emitting layers do not show as much luminescence efficiency compared to those with two color emitting layers, but rather, show distinct red emission in the resultant emission spectra. The highest power efficiency was measured to be 1.15lm/W at 2,000 $cd/m^2$ for a structure with two color-emitting layers.