• Title/Summary/Keyword: Guest molecules

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Crystal Structure of the Three-dimensional Metal Complex Host in Clusion Compound [$Cd(pn)Ni(CN)_4{\cdot}0.5(CH_3COCH_3{\cdot}H_2O$) (3차원 금속 착제를 Host로 하는 포접 화합물 [$Cd(pn)Ni(CN)_4{\cdot}0.5(CH_3COCH_3{\cdot}H_2O$)의 결정구조)

  • Park, Gi Min;Lee, Uk;Am, Bon Jin Mu
    • Journal of the Korean Chemical Society
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    • v.38 no.6
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    • pp.435-441
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    • 1994
  • The inclusion compound constituted with three-dimensional metal-complex $Cd(pn)Ni(CN)_4$ has been prepared and determined the crystal structure from single crystal X-ray diffraction data. Crystal data are as follows: $[Cd(pn)Ni(CN)_4]{\cdot}0.5(CH_3COCH_3{\cdot}H_2O)$, Fw = 387.35, Orthorhombic, $Pn2_1a$, a = 13.950(3) $\AA$, b = 26.713(7) $\AA$, c = 7.628(1) $\AA$, V = 2843(1) $\AA^3$, Z = 4, $D_x=1.81 gcm^{-3}$, $\mu(MoK{\alpha})$ = $28.153 cm^{-1}$, T = 297K, final R = 0.0418 for 3521($F_0>3{\sigma}(F_0)$). The metal-complex host provides tunnel cavity, similar to thiourea inclusion compounds, accommodated guest molecules $(=CH_3COCH_3\;and\;$H_2O).$ The stoichiometric host: guest ratio is 0.5. The title inclusion compound reveals another evidence for the host-selectivity, that is, the branched aliphatic guest molecule leads T-type host structure.

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Phase Behavior and Structural Analyses of the THF + H2 Binary Clathrate Hydrate (THF + H2 이성분계 크러스레이트 하이드레이트의 상거동 및 구조 분석)

  • Cha, Jong-Ho;Park, Youngjune;Cha, Min-Jun;Yeon, Sun-Hwa;Lee, Huen
    • Korean Chemical Engineering Research
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    • v.46 no.6
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    • pp.1095-1099
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    • 2008
  • In this study, we investigated that hydrate formation and phase behavior of the $THF+H_2$ binary clathrate hydrates. In order to confirm the binary clathrate hydrate formation we employed the Raman and NMR spectroscopies that are known to be quite powerful tools, particularly for examining the cage occupancy pattern of guest molecules. In addition, we traced the P-T profiles from clathrate hydrate formation and dissociation process, which made it possible for the resulting phase equilibrium boundary to be clearly established. In the binary clathrate hydrate matrix we further identified that the relatively large THF molecules can only occupy the large $5^{12}6^4$ cavities, while the small $H_2$ molecules are entrapped in the empty $5^{12}$ cavities in structure-II, making the hydrate to be stable above 273 K even at relatively low pressure condition. Considering that pure $H_2$ hydrate can be produced at the extreme pressures higher that 1,000 bar, we can conclude that the water-soluble second guest inclusion induces $H_2$ storage and transportation to be readily achievable under much milder conditions.

Study on methane hydrate production using depressurization method (감압법을 이용한 메탄 하이드레이트 생산에 대한 연구)

  • Park, Sung-Seek;Kim, Nam-Jin
    • Journal of the Korean Solar Energy Society
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    • v.30 no.1
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    • pp.34-41
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    • 2010
  • Gas hydrates are solid solutions when water molecules are linked through hydrogen bonding and create host lattice cavities that can enclose many kinds of guest(gas) molecules. There are plenty of methane(gas) hydrate in the earth and distributed widely at offshore and permafrost. Several schemes, to produce methane hydrates, have been studied. In this study, depressurization method has been utilized for the numerical model due to it's simplicity and effectiveness. IMPES method has been used for numerical analysis to get the saturation and velocity profile of each phase and pressure profile, velocity of dissociation front progress and the quantity of produced gas. The values calculated for the sample length of 10m, show that methane hydrates has been dissolved completely in approximately 223 minutes and the velocity of dissociation front progress is 3.95㎝ per minute. The volume ratio of the produced gas in the porous media is found to be about 50%. Analysing the saturation profile and the velocity profile from the numerical results, the permeability of each phase in porous media is considered to be the most important factor in the two phase flow propagation. Consequently, permeability strongly influences the productivity of gas in porous media for methane hydrates.

Selective Response of Dye Rotaxane to Metal Ions (금속 이온에 대한 염료 로택산의 선택적 반응성)

  • Park, Jong-S.
    • Proceedings of the Korean Society of Dyers and Finishers Conference
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    • 2011.03a
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    • pp.35-35
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    • 2011
  • The design and preparation of novel dye rotaxanes have gained much interest recently, since such structure usually exhibits peculiar spectral and optical changes. In spite of the promising results to date, increasing pressure remains to develop novel supramolecular structures based on stimuli-responsive systems. This presentation covers the study of inclusion complexes of cyclodextrins and various chromophores, with an emphasis on our most recent outcome of anisotropic hydrogel. In this system, physical gelation prepared from simple mixture of CD and a azo dye is completed through specific host-guest interaction. The obtained hydrogel exhibits respective morphological transitions based on supramolecular assembly and dissociation, leading to either precipitation or a sol-to-gel transition. It can identify different classes of metal ions, and, among them, naked-eye differentiation of lead ion is possible due to the coordination-induced unthreading of dye molecules. Accompanying structural changes were verified by numerous characterization techniques, including 2D-ROESY, HR-MAS, UV-Visible absorption, small-angle X-ray scattering, and induced circular dichroism measurements. Such properties discussed here will find useful in analytical applications, such as metal ion sensing and removal applications.

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Prepyrolysis Structural Relaxation of Coal Studied by Differential Scanning Calorimetry and Solvent Swelling

  • Yun, Yongseung;Suuberg, E.M.
    • Proceedings of the Korea Society for Energy Engineering kosee Conference
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    • 1993.05a
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    • pp.126-131
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    • 1993
  • Differential Scanning Calorimetry (DSC) and solvent swelling technique have been applied for identifying physical transition temperatures in the macromolecular structure of coals. The transition processes seem to be associated with physical relaxation of the coal structure and are irreversible processes. In Pittsburgh No. 8 high volatile bituminous (hvb) coat one physical transition was noted at 250-30$0^{\circ}C$ (at 8$^{\circ}C$/min) without any significant accompanying weight loss. Coals of higher rank than high volatile bituminous, i.e., Upper Freeport medium volatile bituminous (mvb) and Pocahontas No.3 low volatile bituminous (lvb) coals, exhibit structural relaxation just before the major thermal decomposition process and a sharp increase in solvent swellability accompanies this relaxation. In the case of both the Pittsburgh No.8 and the Upper Freeport coat structural relaxations at around 36$0^{\circ}C$ seem to coincide with release of "guest molecules".les".uot;.

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Design and Synthesis of Novel Rhodamine-based Chemosensor Probe Toward Cu2+ Cation

  • Son, Young-A
    • Textile Coloration and Finishing
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    • v.26 no.1
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    • pp.7-12
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    • 2014
  • Nowdays, fluorescent rhodamine chemosensors have attracted a worldwide interest due to its ability to selectively detect heavy and transition metal cations. Due to the importance in environmental and biological toxic effects, the developments of fluorescent chemosensors have been received considerable attention in recent. Especially, a rhodamine-based chemosensor probes have been proved to be useful by exhibiting the efficient "off-on" fluorescence switching toward selected metal cations. This fluorophore can undergo the transformation from non-fluorescent and colorless spirolactam derivative to fluorescent ring-open form. In this study, a new fluorescent chemosensor was synthesized using rhodamine B through two-step procedures, and its selectivity and related optical property were characterized. Selectivity and sensitivity was found toward $Cu^{2+}$ guest molecules and then related optical properties of rhodamine B based fluorescent chemosensor compound were characterized using discussed. In addition, computational calculation was used to determine the HOMO/LUMO values.

A New Door for Molecular-Based Organic Electroluminescent Devices

  • Jou, Jwo-Huei;Wang, Wei-Ben;Hsu, Mao-Feng;Lai, Wen-Hsuan;Chen, Chin-Ti;Chin, Chih-Lung
    • 한국정보디스플레이학회:학술대회논문집
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    • 2009.10a
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    • pp.350-353
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    • 2009
  • While the comparatively high MW would make the employed molecules extremely difficult to vacuum-evaporate, and result in poor device performance, the wet-process has been proven to be quite effective and convenient as usual to the fabrication of high-efficiency OLEDs composing high MW components.

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Study on the Chemical Polymerization of Pyrrole in the Presence of Cyclic Poly(oxyethylene)s (환형 폴리옥시에틸렌 존재하의 피롤의 화학적 중합에 관한 연구)

  • 차국찬;김진환;배진영
    • Polymer(Korea)
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    • v.26 no.5
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    • pp.568-574
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    • 2002
  • Inclusion compounds using cyclic poly(oxyethylene)s as host molecules have been used to polymerize pyrrole chemically in aqueous medium. This general synthetic strategy makes it possible to grow rigid aromatic polymers in aqueous medium by chemical oxidation method. It is an easy method to obtain rigid polymers in a very mild manner. Some threaded and water-soluble polypyrroles are obtained, and their characterization is performed by NMR, IR, UV, and MALDI-TOF MS measurements.

Intramolecular Photocycloaddition of 3-(3-Butenyl)cycloher-2-enone and 3-(2-Propenoxy)cyclohex-2-enone in Zeolites

  • 노태희;권혁순;최경성;최경인
    • Bulletin of the Korean Chemical Society
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    • v.20 no.1
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    • pp.76-80
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    • 1999
  • The effects of zeolites on the intramolecular [2+2] photocycloadditions of 3-(3-butenyl)cyclohex-2-enone (la) and 3-(2-propenoxy)cyclohex-2-enone (lb) were investigated. When la adsorbed in cation-exchanged zeolites X and Y was irradiated through a Pyrex filter, the products from the 1,6-ring closure biradical increased compared to the results from the photoreaction in homogeneous solutions. In the intramolecular 1,5-ring closure photocycloaddition of la and lb, the products from the cis-fused intermediates increased in zeolites X and Y. The regiochemical and stereochemical outcomes of the photocycloadditions in the zeolites were interpreted by the binding of the guest molecules with the cations in the supercages.

Synthesis of a Novel Anthraquinone Diamino-Bridged Bis(β-cyclodextrin) and Its Cooperative Binding toward Guest Molecules

  • Zhao, Yan;Yang, Zi Ming;Chi, Shao Ming;Gu, Juan;Yang, Yong Cun;Huang, Rong;Wang, Bang Jin;Zhu, Hong You
    • Bulletin of the Korean Chemical Society
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    • v.29 no.5
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    • pp.953-958
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    • 2008
  • A novel anthraquinone diamino-bridged bis($\beta$ -cyclodextrin) 2 was synthesized. The inclusion complexation behaviors of the native $\beta$ -cyclodextrin 1 and the novel bis($\beta$ -cyclodextrin) 2 with guests, such as acridine red (AR), neutral red (NR), ammonium 8-anilino-1-naphthalenesulfonate (ANS), sodium 2-(p-toluidinyl) naphthalenesulfonate (TNS) and rhodamine B (RhB) were investigation by fluorescence, circular dichroism and 2D NMR spectroscopy. The spectral titrations were performed in phosphate buffer (pH 7.20) at 25 ${^{\circ}C}$ to give the complex stability constants (Ks) and Gibbs free energy changes (−${\Delta}G^0$) for the stoichiometric 1:1 inclusion complexation of host 1 and 2 with guests. The results indicated that the novel bis($\beta$ -cyclodextrin) 2 greatly enhanced the original binding affinity of the native $\beta$ -cyclodextrin 1. Typically, bis($\beta$ -cyclodextrin) 2 showed the highest binding constant towards ANS up to 34.8 times higher than that of 1. The 2D NMR spectra of bis($\beta$ -cyclodextrin) 2 with RhB and TNS were performed to confirm the binding mode. The increased binding affinity and molecular selectivity of guests by bis($\beta$ -cyclodextrin) 2 were discussed from the viewpoint of the size/shape-fit concept and multipoint recognition mechanism.