• Bulletin of the Korean Chemical Society
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• 제18권1호
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• pp.27-32
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• 1997

The geometries and energies of the isomers in alkyne complexes MCl(PH3)2(η2-C2H2), M=Rh and Ir, are theoretically investigated using ab initio methods at the Hartree-Fock and up to MP4 level of theory and relativistic effective core potentials for Rh and Ir metals. The optimized structures of Rh complexes, 1-3 at MP2/ECP1 level are in good agreement with the related experimental data. The binding energies of C2H2 to d8-metal fragments are computed to be ∼55 kcal/mol. The vinylidene complexes for Rh and Ir metals are calculated to be much lower in energy than the alkyne complexes. The alkyne-vinylidene rearrangement is possible to proceed exothermically through the intermediate hydrido-alkynyl complexes, 2 or 9. Detailed comparison is given about the geometries and relative energies on Rh and Ir isomers at the various level ab initio calculations with orbital analysis.

• Bulletin of the Korean Chemical Society
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• 제33권8호
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• pp.2517-2522
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• 2012

New polynuclear poly(hexaaza macrocyclic) copper(II) complexes $[1](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$, $[2](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$, and $[3](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$ have been prepared by the one-pot reaction of formaldehyde with ethylenediamine and 1,2-bis(2-aminoethoxy)ethane, 1,3-diaminopropane, or 1,6-diaminohexane in the presence of the metal ion. The polymer complexes contain fully saturated 14-membered hexaaza macrocyclic units (1,3,6,8,10,13-hexaazacyclotetradecane) that are linked by $N-(CH_2)_2-O-(CH_2)_2-O-(CH_2)_2-N$, $N-(CH_2)_3-N$, or $N-(CH_2)_6-N$ chains. The mononuclear complex $[Cu(H_2L^5)](ClO_4)_4$ ($H_2L^5$ = a protonated form of $L^5$) bearing two $N-(CH_2)_2-O-(CH_2)_2-O-(CH_2)_2-NH_2$ pendant arms has also been prepared by the metal-directed reaction of ethylenediamine, 1,2-bis(2-aminoethoxy)ethane, and formaldehyde. The polymer complexes were characterized employing elemental analyses, FT-IR and electronic absorption spectra, molar conductance, X-ray diffraction (XRD), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and scanning electron micrograph (SEM). Electronic absorption spectra of the complexes show that each macrocyclic unit of them has square-planar coordination geometry with a 5-6-5-6 chelate ring sequence. The polymer complexes as well as $[Cu(H_2L^5)]^{4+}$ are quite stable even in concentrated $HClO_4$ solutions. Synthesis and characterization of the polynuclear and mononuclear copper(II) complexes are reported.

• 분석과학
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• 제12권6호
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• pp.498-503
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• 1999

2-hydroxy-1-naphthaldehyde와 aromatic amine으로부터 $N_2O_2$형의 네자리 schiff base 리간드인 Bis(2-hydroxy-1-naphtyllidine)-o-toluene-diimine;[$NOTDH_2$]를 합성하였다. 이 리간드와 cobalt(II), nickel(II) 및 copper(II) Acetate들과 반응시켜 schiff base 전이금속(II) 착물들을 합성하였으며 원소분석, IR, UV-vis, NMR 분광법 및 TGA로부터 착물들의 구조를 확인하였다. 중심 금속인 전이금속(II) 이온은 $N_2O_2$형의 주개원자를 갖는 네자리 리간드의 페놀에 있는 산소와는 이온결합을, aromatic amine의 질소와는 배위결합을 형성하여 비이온성의 착물을 형성하였다. $N_2O_2$형의 네자리 Schiff Base 전이금속(II) 착물에서 리간드와 금속이온들은 전이금속(II) 이온과 1:1로 결합하며 Cu(II)착물들은 4배위 구조임을 알았으며, Co(II) Ni(II)착물들은 2분자의 수화물이 배위된 6배위 착물 구조임을 알았다.

• Mass Spectrometry Letters
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• 제3권3호
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• pp.82-85
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• 2012

The formation of zinc finger peptide-$Zn^{2+}$ complexes in electrospray ionization mass spectrometry (ESI-MS) was examined using three different metal ion sources: $ZnCl_2$, $Zn(CH_3COO)_2$, and $Zn(OOC(CHOH)_2COO)$. For the four zinc finger peptides (Sp1-1, Sp1-3, CF2II-4, and CF2II-6) that bind only a single $Zn^{2+}$ in the native condition, electrospray of apo-zinc finger in solution containing $ZnCl_2$ or $Zn(CH_3COO)_2$ resulted in the formation of zinc finger-$Zn^{2+}$ complexes with multiple zinc ions. This result suggests the formation of nonspecific zinc finger-$Zn^{2+}$ complexes. Zn(tartrate), $Zn(OOC(CHOH)_2COO)$, mainly produced specific zinc finger-$Zn^{2+}$ complexes with a single zinc ion. This study clearly indicates that tartrate is an excellent counter ion in ESI-MS studies of zinc finger-$Zn^{2+}$ complexes, which prevents the formation of nonspecific zinc finger-$Zn^{2+}$ complexes.

• 대한화학회지
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• 제49권1호
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• pp.35-46
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• 2005

• 대한약학회:학술대회논문집
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• 대한약학회 2002년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2
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• pp.339.2-339.2
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• 2002

Interest in the synthesis and chemistry of multidentate macrocyclic ligands is currently very high. Synthetic macrocycles arise from the fact that many biologically important molecules are metal complexes of macrocyclic organic systems: and in order to understand the mechanism of action of the naturally occurring complexes. chemists have resorted to the synthesis and study of so-called model systems. (omitted)

• Bulletin of the Korean Chemical Society
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• 제25권6호
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• pp.809-812
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• 2004

Complexation reactions of nitrilotriacetate (NTA) and penicillamine with $Cu^{2+}$ and $Co^{2+}$ have been studied in solution phase using paper electrophoresis technique. The stability constants of the complexes Cu(II)-nitrilotriacetate-penicillamine and Co(II)-nitrilotriacetate-penicillamine have been found to be $6.64{\pm}0.03\;and\;5.86{\pm}0.05$ (logarithm stability constant values), respectively at 35$^{\circ}C$ and ionic strength 0.1 M.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2010년도 춘계학술대회 초록집
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• pp.89.2-89.2
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• 2010

The dye-sensitized solar cell (DSSC) is a device for the conversion of visible light into electricity, based on the sensitization of wide bandgap semiconductors. The performance of the cell mainly depends on a dye used as sensitizer. The absorption spectrum of the dye and the anchorage of the dye to the surface of $TiO_2$ are important parameters determining the efficiency of the cell. Generally, transition metal coordination compounds(ruthenium polypyridyl complexes) are used as the effective sensitizers, due to their intense charge-transfer absorption in the whole visible range and highly efficient metal-to ligand charge transfer. However, ruthenium polypyridyl complexes contain a heavy metal, which is undesirable from point of view of the environmental aspects. Moreover, the process to synthesize the complexes is complicated and costly. Alternatively, organic dyes can be used for the same purpose with an acceptable efficiency. The advantages of organic dyes include their availability and low cost. We designed and synthesized a series of organic sensitizers containing long wavelength absorption-chromophores for the dye sensitized solar cell. The DSSC composed of Blue-chromophores for the sensitization absorbed long wavelength region which is different also applied into the dye-cocktail (mixing) system. The photovoltaic property of DSSCs organic long wavelength absorption-chromophores were measured and evaluated by comparison with that of individual chromophores.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2011년도 춘계학술대회 초록집
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• pp.118.1-118.1
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• 2011

The dye-sensitized solar cell (DSSC) is a device for the conversion of visible light into electricity, based on the sensitization of wide bandgap semiconductors. The performance of the cell mainly depends on a dye used as sensitizer. The absorption spectrum of the dye and the anchorage of the dye to the surface of TiO2 are important parameters determining the efficiency of the cell. Generally, transition metal coordination compounds(ruthenium polypyridyl complexes) are used as the effective sensitizers, due to their intense charge-transfer absorption in the whole visible range and highly efficient metal-to ligand charge transfer. However, ruthenium polypyridyl complexes contain a heavy metal, which is undesirable from point of view of the environmental aspects. Moreover, the process to synthesize the complexes is complicated and costly. Alternatively, organic dyes can be used for the same purpose with an acceptable efficiency. The advantages of organic dyes include their availability and low cost. We designed and synthesized a series of organic sensitizers containing long wavelength absorption-chromophores for the dye sensitized solar cell. The DSSC composed of Blue-chromophores for the sensitization absorbed long wavelength region which is different also applied into the dye-cocktail (mixing) system. The photovoltaic property of DSSCs organic long wavelength absorption-chromophores were measured and evaluated by comparison with that of individual chromophores.

• Bulletin of the Korean Chemical Society
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• 제23권4호
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• pp.563-566
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• 2002

Copper complexes have been directly incorporated into cellulose acetate (CA) and the resulting light blue colored homogeneous films of 5-20 wt.% copper acetate complex concentrations are found to be thermally stable up to 200 $^{\circ}C$. The reaction chem istry of Cu in CA has been investigated by reacting them with small gas molecules such as CO, H2, D2, O2, NO, and olefins in the temperature range of 25-160 $^{\circ}C$, and various Cu-hydride, -carbonyl, -nitrosyl, and olefin species coordinated to Cu sites in CA are characterized by IR and UV/Vis spectroscopic study. The reduction of Cu(II) complexes by reacting with H2 gas at the described conditions results in the formation of Cu2O and copper metal nanoparticles in CA, and their sizes in 30-120 nm range are found to be controlled by adjusting metal complex concentration in CA and/or the reduction reaction conditions. These small copper metal particles show various catalytic reactivity in hydrogenation of olefins and CH3CN; CO oxidation; and NO reduction reactions under relatively mild conditions.