• Title/Summary/Keyword: H atoms

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Kinetic Studies of Reaction of Transion Metal Ion with Macrocyclic Ligands. Containing Nitrogen and Oxygen Donor Atoms (전이금속 이온과 Macrocyclic Ligand 사이의 반응에 관한 속도론적 연구 질소원자와 산소원자를 포함하는 거대고리 리간드를 중심으로)

  • Kim Jin-Ho;Cho Moon-Hwan;Hyeoun Dong-Ho;Park Hyu-Bum;Kim Si-Joong;Lee Ihn-Chong
    • Journal of the Korean Chemical Society
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    • v.34 no.5
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    • pp.418-423
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    • 1990
  • The protonation constants for the macrocyclic ligands 1,15,18-triaza-3,4;12,13-dibenzo-5,8,11-trioxa cycloeicosane (NdienOdienH$_4$), 1,12,15-triaza-3,4;9,10-dibenzo-5,8-dioxa cycloheptadecane (NdienOenH$_4$), and 1,15-diaza-3,4;12,13-dibenzo-5,8,11-trioxa cycloheptadecane (NenOdienH4) have been determined by the potentiometry in aqueous solutions (25$^{\circ}C$, I = 0.1, KNO$_3$). The stability constants for complexes formed in the aqueous solution (25$^{\circ}C$, I = 0.1, KNO$_3$) between the above ligands and the metal ions (Co(Ⅱ), Ni(Ⅱ), and Cu(Ⅱ)) have been measured by potentiometry. The rate of the ligand substitution reaction was measured spectrophotometrically by the addition of aqueous solutions of ethylenediamine to the solution of the complex. From the study of the temperature effect on the rate constant (k$_{obs}$), activation parameters (E$_a$,${\{Delta}H^{\neq}$, and ${\{Delta}S^{\neq}$) have been determined. The possible mechanism for the substitution reaction is proposed.

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Synthesis and Characterization of Tetradentate N2O2 Schiff Base Ligand and its Rare Earth Metal Complexes (사배위 N2O2 Schiff 염기 리간드와 그 희토류 금속착물의 합성 및 특성)

  • Shelke, Vinod A.;Jadhav, Sarika M.;Shankarwar, Sunil G.;Munde, chut S.;Chondhekar, Trimbak K.
    • Journal of the Korean Chemical Society
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    • v.55 no.3
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    • pp.436-443
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    • 2011
  • The solid complexes of La(III), Ce(III), Pr(III), Nd(III), Sm(III) and Gd(III) with 4-hydroxy-3-(1-{2-(2,4-dihydroxy-benzylidene)-amino phenylimino}-ethyl)-6-methyl-pyran-2-one ($H_2$L) derived from o-phenylenediamine, 3-acetyl-6-methyl-(2H)pyran,2,4(3H)-dione (dehydroacetic acid or DHA) and 2, 4-dihydroxy benzaldehyde have been synthesized and characterized by elemental analysis, conductometry, magnetic susceptibility, UV-visible, FT-IR, $^1H$-NMR, X-ray diffraction, thermal analysis study, and screened for antimicrobial activity. The FT-IR spectral data suggest that the ligand behaves as a dibasic tetradentate ligand with ONNO donor atoms sequence towards central metal ion. From the microanalytical data, the stoichiometry of the complexes has been found to be 1:1 (metal: ligand). The physico-chemical data suggests distorted octahedral geometry for La(III), Ce(III), Pr(III), Nd(III), Sm(III) and Gd(III) complexes. The X-ray diffraction data suggests monoclinic crystal system for La(III) and Ce(III) and orthorombic crystal system for Pr(III) and Nd(III) complexes. Thermal behavior (TG/DTA) of the complexes was studied and kinetic parameters were determined by Horowitz-Metzger and Coats-Redfern methods. The ligand and its metal complexes were screened for antibacterial activity against Staphylococcus aureus, Escherichia coli, Bacillus Sp. and fungicidal activity against Aspergillus Niger, Trichoderma and Fusarium oxysporum.

Synthesis and Characterization of Some Transition Metal Complexes of Unsymmetrical Tetradentate Schiff Base Ligand (비대칭 Tetradentate Schiff 염기 리간드의 전이금속 착물에 대한 합성 및 특성)

  • Munde, A. S.;Jagdale, A. N.;Jadhav, S. M.;Chondhekar, T. K.
    • Journal of the Korean Chemical Society
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    • v.53 no.4
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    • pp.407-414
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    • 2009
  • The solid complexes of Cu(II), Ni(II), Co(II), Mn(II) and Fe(III) with 4-hydroxy-3-(1-{2-(2-hydroxybenzylidene)- amino phenylimino}-ethyl)-6-methy-pyran-2-one (H2L) derived from o-phenylenediamine, 3-acetyl- 6-methyl-(2H) pyran, 2,4 (3H)-dione (dehydroacetic acid or DHA) and salicylic aldehyde have been synthesized and characterized by elemental analysis, conductometry, magnetic susceptibility, UV-visible, IR, $^1H$-NMR spectra, X-ray diffraction, thermal analysis, and screened for antimicrobial activity. The IR spectral data suggest that the ligand behaves as a dibasic tetradentate ligand with ONNO donor atoms sequence towards central metal ion. From the microanalytical data, the stoichiometry of the complexes has been found to be 1:1 (metal: ligand). The physico-chemical data suggests square planar geometry for Cu(II) and Ni(II) complexes and octahedral geometry for Co(II), Mn(II) and Fe(III) complexes. The x-ray differaction data suggests orthorhombic crystal system for Cu(II) complex, monoclinic crystal system for Ni(II), Co(II) and Fe(III) and tetragonal crystal system for Mn(II) complex. Thermal behaviour (TG/DTA) of the complexes was studied and kinetic parameters were determined by Coats-Redfern method. The ligand and their metal complexes were screened for antibacterial activity against Staphylococcus aureus and Escherichia coli and fungicidal activity against Aspergillus Niger and Trichoderma.

Synthesis of Pt-Bi/Carbon Electrodes by Reduction Method for Direct Methanol Fuel Cell (환원법에 의한 직접 메탄올 연료전지(DMFC)용 Pt-Bi/Carbon 전극제조)

  • Kim, Kwan Sung;Kim, Min Kyung;Noh, Dong Kyun;Tak, Yongsug;Baeck, Sung-Hyeon
    • Applied Chemistry for Engineering
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    • v.22 no.5
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    • pp.479-485
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    • 2011
  • Pt-Bi/C catalysts supported on carbon black with various Pt/Bi ratios were synthesized by a reduction method. Chloroplatinic acid hydrate ($H_2PtCl_6{\cdot}xH_2O$) and bismuth (III) nitrate pentahydrate ($Bi(NO_3)_3{\cdot}5H_2O$) were used as precursors for Pt and Bi, respectively. Before loading metal on carbon, heat treatment and pretreatment of carbon black in an acidic solution was conducted to enhance the degree of dispersion. The physical property of the synthesized catalysts was investigated by X-ray diffraction and X-ray photoelectron spectroscopy. The XRD pattern of untreated Pt-Bi/C catalyst showed BiPt and $Bi_2Pt$ peaks in addition to Pt peaks. These results imply that Bi atoms were incorporated into the Pt crystal lattice by Pt-Bi alloy formation. The catalytic activity for methanol oxidation was measured using cyclic voltammetry in a mixture of 0.5 M $H_2SO_4$ and 0.5 M $CH_3OH$ aqueous solution. The addition of proper amount of Bi was found to significantly improve catalytic activity for methanol oxidation. The catalytic activity for methanol oxidation was closely related to the stability between electrode and electrolyte. In order to investigate the stability of catalysts, chronoamperometry analysis was carried out in the same solution at 0.6 V.

Synthesis and Characterization of Proton Conducting Graft Copolymer Membranes (수소이온 전도성 가지형 공중합체 전해질막 제조 및 분석)

  • Roh, Dong Kyu;Koh, Jong Kwan;Seo, Jin Ah;Kim, Jong Hak
    • 한국신재생에너지학회:학술대회논문집
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    • 2010.06a
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    • pp.126.2-126.2
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    • 2010
  • The "grafting from" technology to prepare the well-defined microphase-separated structure of polymer using atom transfer radical polymerization (ATRP) will be introduced in this presentation. Various amphiphilic comb copolymers were synthesized through this approach using poly (vinylidene fluoride) (PVDF), poly (vinylidene fluoride-co-chlorotrifluoroethylene) (P(VDF-co-CTFE) and poly(vinyl chloride) (PVC) as a macroinitiator. Hydrophilic side chains such as poly (styrene sulfonic acid) (PSSA) or poly (sulfopropyl methacrylate) (PSPMA) were grafted from the mains chains using direct initiation of the chlorine atoms. The structure of mass transport channels has been controlled and fixed by crosslinking the hydrophobic domains, which also provides the greater mechanical properties of membranes. Successful synthesis and microphase-separated structure of the polymer were confirmed by $^1H$ NMR, FT-IR spectroscopy and TEM. The grafted/crosslinked membranes exhibited good mechanical properties (400 MPa of Young's modulus) and high thermal stability (up to $300^{\circ}C$), as determined by a universal testing machine (UTM) and TGA, respectively.

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Synthesis and Crystal Structure of 1,3-Diazatricyclo[5.3.1.$0^{5,11}$] undecane-2,4-dione (1,3-Diazatricyclo[5.3.1.$0^{5,11}$ undecane-2,4-dione의 합성과 결정구조)

  • 김정욱;윤호섭
    • Korean Journal of Crystallography
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    • v.5 no.2
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    • pp.100-107
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    • 1994
  • A new Nl-pentenyl derivative of pyrimidines has been synthesized by an intramolecular (2+2) photocycloaddition and characterized by the single-crystal X-ray diffraction technique. The compound crystallizes in the rhombohedral system (R3, a=27.767(5)A c=6.390(2)A). In this structure, two 6-membered rings and a 4-membered ring are fused by the N-N or N-C bonds and the Tyidin Part adouts chair conformation. A pair of molecules related by an inversion center we held together through the hydrogen bonding interactions between N and O atoms of the uracil miety.

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The Preparation and its Chemical Properties of Palladium Complexes with a series of Cycloamine (Cycloamine 계의 팔라듐 착물의 합성과 그 화학적 성질)

  • Sang-Oh Oh;Duck-Young Chung
    • Journal of the Korean Chemical Society
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    • v.29 no.4
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    • pp.406-413
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    • 1985
  • We synthesized Pd(II) complexes containing sulfoxide and cycloamine series on the basis of the fact that many workers had the foresight to suggest anticancer activites using Pd(II) complexes with sulfur, nitrogen, or nucleic acid relatives as ligands particulary. The identification and characterization of these complexes are followed; content rates of atoms and molecular weights are confirmed by Elemental Analysis and Mass spectra, bonding of metal and ligands by UV-Vis. spectra and NMR spectra, and donor sites of ligands and configuration of complexes by IR spectra. These are yellow crystals, soluble in methanol and chloroform, and insoluble in H2O and the other common organic solvents.

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Ligand Based HQSAR Analysis of CRTh2 Antagonists

  • Babu, Sathya;Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
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    • v.8 no.1
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    • pp.1-12
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    • 2015
  • CRTh2 receptor is an important mediator of the inflammatory effects and act as beneficial target for the treatment of asthma, COPD, allergic rhinitis and atopic dermatitis. In the present work, Hologram QSAR studies were conducted on a series of 50 training set CRTh2 antagonists (2-(2-(benzylthio)-1H-benzo[d]imidazol-1-yl acetic acids). The best HQSAR model was obtained using atoms, bonds, connections and donor/acceptor as fragment distinction parameter using hologram length 257 and 6 components with fragment size of minimum 7 and maximum 10. Significant cross-validated correlation coefficient ($q^2=0.786$) and non cross-validated correlation coefficients ($r^2=0.954$) were obtained. The model was then used to evaluate the 15 external test compounds which are not included in the training set and the predicted values were in good agreement with the experimental results ($r^2_{pred}=0.739$). Contribution map show that presence of C ring and its substituents makes big contributions for activities. The HQSAR model and analysis from the contribution map could be useful for further design of novel structurally related CRTh2 antagonists.

2-D & 3-D Observations on the Microstructure of Super Bainite TRIP Steels using Total Analysis System (TAS(Total Analysis System)을 이용한 SB-TRIP강에서의 2-D & 3-D 미세구조 분석 연구)

  • Seol, J.B.;Lee, B.H.;Park, C.G.
    • Transactions of Materials Processing
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    • v.19 no.1
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    • pp.44-49
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    • 2010
  • It has been widely reported that carbide-free bainitic steels or super-bainite TRIP (SB-TRIP) steels for the automotive industry are a new family of steels offering a unique combination of high strength and ductility. Hence, it is important to exactly evaluate the volume fraction of RA and to identify the 3-D morphology of constituent phases, because it plays a crucial role in mechanical properties. Recently, as electron back-scattered diffraction (EBSD) equipped with focused ion beam (FIB) has been developed, 3-D EBSD technique for materials science are used to these steels. Moreover, newly developed atom probe tomography (APT) technique can provide the exact distribution and chemical concentration of alloying elements in a sub-nm scale. The APT analysis results indicate exactly the distribution and composition of alloying elements in the austenite and bainite phases of SB-TRIP steels with the atomic-scale resolution. And thus, no partitioning of aluminum and manganese atoms was showed between the austenite containing $7.73{\pm}0.39$ at% C and the bainitic ferrite associated with $0.22{\pm}0.06$ at% C in SB-TRIP steel.

Spectroscopic Studies on Electroless Deposition of Copper on Hydrogen-Terminated Si(111) Surface in NH4F Solution Containing Cu(II) Ions

  • Lee, In-Churl;Bae, Sang-Eun;Song, Moon-Bong;Lee, Jong-Soon;Paek, Se-Hwan;J.Lee, Chi-Woo
    • Bulletin of the Korean Chemical Society
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    • v.25 no.2
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    • pp.167-171
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    • 2004
  • The electroless deposition of copper on the hydrogen-terminated Si(111) surface was investigated by means of attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, scanning tunneling microscopy (STM), and energy-dispersive spectroscopy (EDS). The hydrogen-terminated Si(111) surface prepared was stable under air atmosphere for a day or more. It was found from ATR-FTIR that two bands centered at 2000 and 2260 $cm^{-1}$ appeared after the H-Si(111) surface was immersed in 40% $NH_4F$ solution containing 10 mM $Cu^{2+}$. On the other hand, STM image included the copper islands with a height of 5 nm and a diameter of 10-20 nm. The EDS data displayed the presence of copper, silicon and oxygen species. The results were rationalized in terms of the redox reaction of surface Si atoms and $Cu^{2+}$ ions in solutions, which are changed into $Si(OH)_x(F)_y$ containing $SiF_6^{2-}$ ions and neutral copper islands.