• Title/Summary/Keyword: 전이금속(Ni, Zn)

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First Principles Calculations on Electronic Structure and Magnetism of Transition Metal Doped ZnO (전이금속이 도핑된 ZnO의 전자구조와 자성에 대한 제일원리계산)

  • Yun, Sun-Young;Cha, Gi-Beom;Hong, Sun-C.
    • Journal of the Korean Magnetics Society
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    • v.15 no.1
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    • pp.1-6
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    • 2005
  • In this study we investigate the electronic structure and magnetism of transition metal (TM = Ti, Cr, Mn, Fe, Co, Ni, Ru, Pd, Ag ) deped ZnO($TM_{0.25}Zn_{0.75}O$), which are expected to have Curie temperature. Full-potential Linearized Augmented Plane Wave(FLAPW) metod is adopted with exchange-correlation potential expressed as general gradient approximation(GGA). The calculated magnetic moments of ($TM_{0.25}Zn_{0.75}O$) are 0.83, 3.03, 4.03, 3.48, 2.47, 1.56, 0.43, 0.75, 0.01 ${\mu}_B$ for TM = Ti, Cr, Mn, Fe, Co, Ni, Ru, Pd, Ag, respectively. The nearest neighbor O atom to the transition metal is calculated to have a significant magnetic moment of about 0.1${\mu}_B$, ?? 새 strong hybridization between O-p and TM-d bands. As the results, the systems may have larger magnetic moments in total, compared to the corresponding isolated atoms. The 3d TM doped systems exhibit the half-metallic character except Co, wheres the 4d TM doped systems behave like normal metals and low spin polarization at the Fermi levels.

Complex Formation of Transition and Post-Transition Metal Ions with 1,15-Diaza-3,4 : 12,13-dibenzo-5,8,11-trioxacyclooctadecane (전이 및 중금속이온과 1,15-diaza-3,4 : 12,13-dibenzo-5,8,11-trioxa-cyclooctadecane과의 착물형성)

  • Kim, Si-Joong;Lee, Myung-Jae;Koo, Chang-Hyung;Woo, Kyoun-Ja
    • Journal of the Korean Chemical Society
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    • v.35 no.6
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    • pp.645-652
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    • 1991
  • The stability constants$(K_f)$ of the complexes of some transition and post-transition metal ions (Co(Ⅱ), Ni(Ⅱ), Cu(Ⅱ), Zn(Ⅱ), Cd(Ⅱ), Pb(Ⅱ), Hg(Ⅱ)) with $N_2O_3$-donor macrocyclic ligand, 1,15-diaza-3,4 : 12,13-dibenzo-5,8,11-trioxacyclooctadecane ($NtnOdienH_4$), have been determined by potentiometry in aqueous solution at $25^{\circ}C$. Log $K_f$ values of the complexes were : Co(Ⅱ): 3.83, Ni(Ⅱ) : 4.56, Cu(Ⅱ) : 7.74, Zn(Ⅱ) : 4.98, Cd(Ⅱ) : 3.91, Pb(Ⅱ) : 6.65, and Hg(Ⅱ) : 14.87. The order of stabilities of transition metal complexes was the same as the natural order of stability proposed by Williams-Irving. In post-transition metal complexes, the order of stabilities was Cd(Ⅱ) < Pb(Ⅱ) < Hg(Ⅱ), and the covalent character in metal ion-donor atoms bonds appeared a dominant factor in the stability. In methanol solution, each metal ion forms 1 : 1 complex, while Ni(Ⅱ) ion forms both 1 : 1 and 1 : 2 complexes. It was confirmed by $^1H-$ and $^{13}C-$NMR spectral study that the nitrogen atoms in the ligand were major contributors for the complexation of post-transition metal ions with the ligand. It was shown, by elementry analysis, electrical conductivity and magnetic susceptibility measurements, and spectral analysis, that solid Cu(Ⅱ)-and Zn(Ⅱ)-complexes have a distorted octahedral and a tetrahedral structure, respectively.

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Adsorption and Preconcentration of Some Heavy Metals by Resorcinol-Formaldehyde Resin (Resorcinol-formaldehyde 수지에 의한 중금속 이온의 흡착과 농축)

  • Park, Chan-Il;Cha, Ki-Won
    • Analytical Science and Technology
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    • v.11 no.3
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    • pp.174-178
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    • 1998
  • A chelating resin was prepared by the reaction of formaldehyde and resorcinol. It possesses high adsorption selectivity for transition metal ions such as Pb(II) and Ni(II). The adsorption and desorption yields of Pb(II), Ni(II), Co(II), Fe(II) and Zn(II) were determined using batch method. The significant characteristics of the chelating resin is the exchange processes between its hydrogen and metal ions. The mechanism of metal adsorption and desorption seems to be the competing protonation and complexation reaction of the functional group of the resin. This resin was applied to the rapid concentration of trace amounts of these metal ions and to the separation of Pb(II) from other metal ions in bulk solution.

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Adsorption and Separation of Ag(I) Using a Merrifield Resin Bound NTOE, NDOE in Aqueous Solution (수용액에서 NTOE, NDOE가 결합된 Merrifield 수지를 이용한 Ag(I)의 흡착 및 분리 특성)

  • Lee, Cheal-Gyu;Kim, Hae Joong
    • Analytical Science and Technology
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    • v.12 no.2
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    • pp.159-165
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    • 1999
  • The adsorption and separation behaviors of transition metal ions using a merrifield resin bound 1,12-diaza-3,4:9,10-dibenzo-5,8-dioxacyclopentadecane (NTOE) and 1,12,15-triaza-3,4:9,10-dibenzo-5,8-dioxacycloheptadecane(NDOE) were investigated in aqueous solution. The orders of adsorption degree(E) and distribution ratio(D) of transition metal ions were Cu(II)$t_R$) of metal ions were affected by adsorption degree(E) and distribution ratio(D). This results showed good separation efficiency of Ag(I) from mixed metal solution.

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Separation of Hg(II) by using the poly-NTOE(1, 12-diaza-3, 4:9, 10-dibenzo-5, 8-dioxacyclopentadeca-1, 12-ylene-2, 7-dihydroxyoctamethylene) in Liquid Chromatography (액체 크로마토그래피에서 Poly-NTOE(1, 12-diaza-3, 4:9, 10-dibenzo-5, 8-dioxacyclopentadeca-1, 12-ylene-2, 7-dihydroxyoctamethylene)를 이용한 Hg(II)의 분리)

  • Kim, Hae-Joong;Shin, Young-Kook;Kim, Si-Joong
    • Analytical Science and Technology
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    • v.8 no.3
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    • pp.259-264
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    • 1995
  • The separation efficiency of metal ions by using the poly-NTOE(1, 12-diaza-3, 4:9, 10-dibenzo-5, 8-dioxacyclopentadeca-1, 12-ylene-2, 7-dihydroxyoctamethylene) has been determined by column chromatography in aqueous solution. Binding constants and separation factors for several poly-NTOE interactions were measured in aqueous solution. The order of these binding constants and separation factors with metal ions were Co(II)Zn(II) for the transition metal ions and Cd(II)

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Synthesis and Characterization of Polymer and Polymer Complex with Some Transition Metal Ions (몇 개의 전이금속 이온과 고분자와 고분자 Complex의 합성과 특성연구)

  • Badr, S.K.;Mohamed, T.Y.
    • Journal of the Korean Chemical Society
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    • v.54 no.1
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    • pp.43-48
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    • 2010
  • Polyamide derived from azo compound of o-amino phenol coupled with acetyl acetone, maleic anhydride acid and p-phenylene diamine were prepared. The prepared polyamide (PA) was refluxed with metal salts of transition metal ions include, $Co^{+2},\;Cr^{+2},\;Ni^{+2},\;Cu^{+2},\;Zn^{+2},\;Cd^{+2}$ and $Fe^{+3}$ in dimethyl formamide (DMF) in different molar ratios. These complexes were characterized and identified by elemental and thermal analysis, IR, 1H NMR spectra. The data showed that PA ligand coordinates with metal ions in abidentate manner through donating N=N and O-H groups. The metal ions are surrounded by coordinated water molecules and anions to establish the geometrical structure of the complexes. The thermal analysis degradation at different temperatures explained the weight loss of hydrated water and the decompositions of complexes until a constant weight loss of metal oxides is obtained.

Cytotoxic Effects of Some Transition Metals, Nickel(II), Copper(II) and Zinc(II), with 3.6-bis(2'-pyridyl)pyridazines Complexes (몇 가지 전이금속, Ni(II), Cu(II) 및 Zn(II) 3,6-bis(2'-pyridyl)pyridazine 착 화합물들의 세포 독성효과)

  • Kwon, Byung-Mok;Lee, Chong-Ock;Choi, Sang-Un;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.49 no.1
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    • pp.21-24
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    • 2006
  • A series of cytotoxic activities $(ED_{50})$ in vitro against six human cancers (lung cancer, uterine cancer, skin cancer, brain cancer, colon cancer and adenocarcinoma) and their seventeen cell lines of 3,6-bis(2'-pyridyl)pyridazine, 1, 3,6-bis-(6'-methyl-2'-pyridyl)pyridazine, 2 and their transition metal, Ni(II), Cu(II) and Zn(II) complexes, $3{\sim}6$ were measured. Particularly, the results revealed that the cytotoxic activities against the brain cancer cell line (SNB-19) and the colon cancer cell line (SW62) of bis- [3,6-bis-(6'-methyl-2'-pyridyl)pyridazine-$k^2N^2,N^3$]chlorocopper(II)perchlorate, 4 were shown to be higher than that of the first generation anticancer agent, Cis-platin.

Partial Oxidation Of Methane over Transiton metal-substituted Hydrotalcite Catalysts (전이금속으로 치환된 하이드로탈사이트 촉매에 의한 메탄의 부분산화)

  • Lee, Seung-Hwan;Kwak, Jung-Hun;Nam, Suk-Woo;Lim, Tae-Hoon;Lim, Seong-Ahn;Yoon, Ki-June
    • 한국신재생에너지학회:학술대회논문집
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    • 2007.11a
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    • pp.85-88
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    • 2007
  • 고정층반응기에서 여러 가지 전이금속으로 치환된 하이드로탈사이트($[M_xMg_{6-x}Al_2(OH)_{16}(CO_3)^{2-}]{\cdot}H_2O;$ M: 전이금속(Ni, Mn, Co, Cu, Zn) x: 전이금속 치환비($x=0.5{\sim}6$))를 합성하고 이를 소성한 후 메탄의 부분산화 반응에 사용하였다. 반응 시 도입되는 $CH_4/O_2$비는 2로 하고 $VHSV=120,000cm^3/g$ h, 온도를 $500^{\circ}C$ 부터 $50^{\circ}C$ 간격으로 하여 $800^{\circ}C$까지 수행하였다. 실험결과 다른 전이금속들 중에서 니켈로 치환된 촉매가 대체적으로 부분산화반응을 촉진시키는데 좋은 것으로 나타났으며, 실험 결과 니켈의 hydrotalcite 중의 치환비(x)에 따른 차이는 별로 없었다.

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Synthesis and Properties of Polydentate Schiff Base Ligands having $N_nO_2$ (n=3~5) Donor Atoms and Bromine Substituent and their Transition Metal Complexes (여러자리 질소-산소계 시프염기 리간드와 전이금속착물의 합성 및 전기화학적 특성)

  • Kim, Sun-Deuk;Shin, Yun-Yeol;Park, Sung-Woo
    • Analytical Science and Technology
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    • v.11 no.6
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    • pp.440-447
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    • 1998
  • Polydentate Schiff base ligands 5-Br-BSDT(bis(5-bromosalicylaldehyde)diethylenetriamine) having $N_3O_2$ atoms, 5-Br-BSTT(bis(5-bromosalicylaldehyde)triethylenetetramine) having $N_3O_2$ atoms, 5-Br-BSTP(bis(5-bromosalicylaldehyde)tetraethylenepentamine) having $N_3O_2$ atoms were synthesized. Stability constants of the complexes between these ligands and the metal ions such as Cu(II), Ni(II) and Zn(II) were measured in DMSO by a polarographic method. It was observed that all metal(II) ions employed in this study formed 1 : 1 complexes with Schiff base ligands. Stability constants for the ligands were in the order of Cu(II)>Ni(II)>Zn(II), and for complex formation were in the order of 5-Br-BSTP>5-Br-BSTT>5-Br-BSDT according to the increasing in the number of donor atoms. Both enthalpy and entropy changes are obtained in negative valves. Exothermicity for the complex formation indicated tight binding between the ligands and metal ions. The negative entropy change would be related to the fact that solvent molecules are strongly interacting with the metal complexes.

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Transport Rate of Transition Metal Cations through a Bulk Liquid Membrane Containing $NtnOenH_4$ and $NdienOenH_4$ as Carriers (운반체로 $NtnOenH_4$$NdienOenH_4$를 포함한 액체막을 통한 전이금속 양이온의 운반속도)

  • Kim, Hae Joong;Chang, Jeong Ho;Shin, Young Kook
    • Journal of the Korean Chemical Society
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    • v.41 no.2
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    • pp.77-81
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    • 1997
  • The transport rates of transition metal cations were increased in order of Ni(II)$(NtnOenH_4)$and 1,12,15-triaza-3,4;9,10-dibenzo-5,8-dioxacyclo-heptadecane$(NdienOenH_4)$as carriers. The transport rates of transition metal cations was found to be of first order to the salt concentrations. It was also found that the dissociation process in the transport process is rate determining step. From the measurements of the transport rates at various temperatures, the partition free energies of hydration$({\Delta}G_p)$for the transition metal cations were calculated. The results showed that the order of transport rates of transition metal cations was found to be proportional to the magnitudes of negative value of the partition free energies of hydration$({\Delta}G_p)$.

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