• Title/Summary/Keyword: metal complex

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DFT Study for Azobenzene Crown Ether p-tert-Butylcalix[4]arene Complexed with Alkali Metal Ion

  • Park, Seong-Jun;Choe, Jong-In
    • Bulletin of the Korean Chemical Society
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    • v.29 no.3
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    • pp.541-545
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    • 2008
  • Stable molecular isomers were calculated for the azobenzene crown ether p-tert-butylcalix[4]arene (1) in the host and their alkali-metal-ion complexes. The structures of two distinct isomers (cis and trans) have been optimized using DFT B3LYP/6-31G(d,p) method. Trans isomer of 1 is found to be 11.69 kcal/mol more stable than cis analogue. For two different kinds of complexation mode, the alkali-metal-cation in the crown-ether moiety (exo) has much better complexation efficiency than in the benzene-rings (endo) pocket for both isomers of 1. Sodium ion has much better complexation efficiency than potassium ion in all kinds of complexation mode with host 1. The Na+ complexation efficiency of the trans-complex (1) in the exo-binding mode is 8.24 kcal/mol better than cis-exo analogue.

The Ion Effect on Dewaterability of Alumina-Metal EDTA System

  • Kim, Jeung-Bea
    • Journal of Environmental Science International
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    • v.12 no.5
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    • pp.559-564
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    • 2003
  • The specific ion effects are observed in the alumina-metal EDTA(Ethylene Diamine Tetraacetic Acid) system. These effects seem to be associated with the fluidity of the metal ion in the complex. A consideration of the order of adsorption of the complexes on alumina indicates that a specific ion effect also affects the stability of the system. It is clear that EDTA and its heavy metal complexes have a significant effect on the dewaterability of alumina. These effects are not well represented by zeta potential measurements, especially for EDTA alone. With the nonspeciating complexes, though, the maximum permeability is predicted by the pH$\_$zpc/ from zeta potential measurements. At other pH value, the refiltration rate is better predicted by the state of coagulation as measured by log W.

Modeling of Metal Penetration Rate by a High Power Continuous Wave Laser (고출력 연속발진 레이저에 의한 금속 관통율 모델링)

  • Shin, Wan-Soon;Koh, Hae-Seog;Park, Byung-Suh;Kang, Eung-Cheol
    • Journal of the Korea Institute of Military Science and Technology
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    • v.15 no.5
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    • pp.705-711
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    • 2012
  • The purpose of this study is to develop the model to estimate the penetration rate of metal under a high power continuous wave laser irradiation. To estimate it, an empirical modeling is more practical when the penetration phenomena of metal by laser irradiation is too complex to be analyzed by the numerical simulation. When several methods published earlier were applied to our results, we found out that their methods were not appropriate as the model. Therefore, we suggested the new empirical method considering effective intensity as a key variable. As a result, we confirmed that the new method was effective to model the penetration rate of SUS304 metal and expected that it could be available to other metals.

Synthesis and Crystal Structures of Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) Metal Complexes with NNO Functionalized Ligands

  • Jang, Yoon-Jung;Lee, Uk;Koo, Bon-Kweon
    • Bulletin of the Korean Chemical Society
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    • v.26 no.6
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    • pp.925-929
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    • 2005
  • Some new metal(II) complexes, $M^{II}L_2$ [M = Mn (1), Co (2), Ni (3), Cu (4), and Zn (5)] of 2-acetylpyridine benzoylhydrazone ligand (HL) containing trifunctional NNO-donor system have been synthesized and crystallographically characterized for the complex 1 and 5. The complexes consist of two ligands to give sixcoordinate, which are bonded to the metal atom on a meridional plane through acetylpyridine ring nitrogen, azomethine nitrogen, and benzoyl oxygen atoms, respectively. The coordination geometry for other complexes was identified on the basis of the physicochemical data by elemental analyses, FAB -MS, IR, $^1H$ NMR, and electronic spectral measurements. The resulting data indicated that the complexes are accordance with the above formulation.

Retention Behavior of Transition Metal ions with Some Complexing Agents on Cation Exchanger

  • Park, Yang-Soon;Joe, Kih-Soo;Lee, Gae-Ho;Han, Sun-Ho;Eom, Tae-Yoon
    • Bulletin of the Korean Chemical Society
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    • v.14 no.6
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    • pp.692-696
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    • 1993
  • Prediction of retention times in transition metal-mandelate and transition metal-tartrate complex systems were studied on the cation exchanger. Plots of k' vs [mandelate] and k' vs [tartrate] were obtained under the condition of a constant competing cation concentration. The equation to predict the retention time of transition metal ion was derived from the ion exchange equilibria. Individual capacity factors (${k_1}',\;{k_2}'$) and stability constants ($K_1,\;K_2$) of the complexes were calculated from the non-linear least square method. Good resolution of the transition metals was predicted by the stepwise equation in the gradient method. The values of retention times from the calculation and the experiment agreed well each other.

Electrochemical Polymerization of Ruthenium(II) Complex and Application to Acetaminophen Analysis

  • Kannan, Sethuraman;Son, Jung-Ik;Yang, Jee-Eun;Shim, Yoon-Bo
    • Bulletin of the Korean Chemical Society
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    • v.32 no.4
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    • pp.1341-1345
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    • 2011
  • A novel ruthenium(II) complex, [$RuCl_2(DMSO)_2$(PhenTPy)] has been synthesized by the condensation of $RuCl_2(DMSO)_4$ with (1-(1,10-phenanthrolinyl)-2,5-di(2-thienyl)-1H-pyrrole)[PhenTPy] in $CHCl_3$ solution. The [$RuCl_2(DMSO)_2$(PhenTPy)] complex modified electrode was fabricated through the electropolymerization of the monomer in a 0.1 M tetrabutylammonium perchlorate (TBAP)/$CH_2Cl_2$ solution, to take advantage of the electronic communication between metal ion center by the conjugated backbone. The UV-visible spectroscopy (UV), mass spectrometry (MS), and cyclic voltammetry (CV) were employed to characterize the [$RuCl_2(DMSO)_2$(PhenTPy)] complex and its polymer (poly-Ru(II)Phen complex). The poly-Ru(II)Phen complex modified electrode exhibited an electrocatalytic activity to the oxidation of acetaminophen and the catalytic property was used for the analysis of acetaminophen at the concentration range between 0.09 and 0.01 mM in a phosphate buffer solution (pH 7.0).

나노구조물질을 이용한 수소저장 기술개발 동향

  • Kim, Geun-Yeong;Zachari, Renju;Nam, Gi-Seok
    • 한국신재생에너지학회:학술대회논문집
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    • 2005.11a
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    • pp.84-91
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    • 2005
  • 수소저장기술은 수소경제를 달성하기 위해 개발해야할 핵실요소기술이다. 이 논문에서는 고체수소저장기술의 최신 개발 동향을 고찰하였다. 나노구조 탄소계 물질(nanostructured carbon materials), 유기금속구조물(metal organic framework, MOFs), 금속수소화물(metal hydrides), 클래스레이트수화물(clathrate hydrates), 금속착수소화물(complex chemical hydrides)과 같은 고체수소저장매체를 중점적으로 고찰하였다. 그 결과 지금까지 개발된 고체수소저장재료의 수소저장용량은 고체의 표면적에 비례하여 증가함을 알 수 있었다. 탄소나노튜브의 수소저장 메커니즘을 연구하여 탄소나노튜브의 표면적이 수소저장량을 증가시키는데 중요한 인자로 작용함을 알 수 있었다.

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Structure Analysis for Surface of LB Films Complexed Metal Ion (금속이온 착체에 의한 LB막의 표면 구조 분석)

  • Shin, Hoon-Kyu;Yoo, Seung-Yeop;Kwon, Young-Soo
    • Proceedings of the KIEE Conference
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    • 1998.11c
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    • pp.881-883
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    • 1998
  • We fabricated IMI-O polymer containing imidazole group that can be form a complex structure between the monolayer and the metal ions at the air-water interface. Also, the monolayer behavior at the air-water interface and Langmuir-Blodget films by complexes formation have been investigated by $\pi$-A isotherms, Brewster Angle Microscopy and the scanning Maxwell-stress microscopy.

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Metal Ion Dissolution in Nitric Acid with Lead-Borosilicate Glass for Barrier Ribs in PDP

  • Kim, Jae-Myung;Lee, Chong-Mu;Kim, Hyung-Sun
    • 한국정보디스플레이학회:학술대회논문집
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    • 2005.07b
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    • pp.1252-1254
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    • 2005
  • Recently, PDP barrier ribs require the formation of complex structure so that they are usually formed by etching method. For producing the fine ribs structure, during the etching process the metal ions of matrix (glass) of barrier materials should be understood on the etching mechanism with etching condition. We analyzed the quantity of Pb, Si, and B ions from the etch solution as a function of etching time.

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Adaptive control of the back bead width in gas metal arc welding process (아크용접에서 이면비드 크기의 적응제어)

  • 부광석;조형석;오준호
    • 제어로봇시스템학회:학술대회논문집
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    • 1988.10a
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    • pp.289-294
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    • 1988
  • This paper describes tbe design and implementation of the adaptive controller to maintain the glood weld quality in gas metal arc welding process. The weld torch travel speed and the surface temperature are taken, respectively, as an input and an output of the welding control system. Because of the very complex phenomena of the process, the input-output dynamic model was experimentally identified by AIC (Akiake Information Criterion). Based on the model structure, the explicit model reference adaptive controller is simulated in order to regulate the output tempernture to the desired level.

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