• Journal of the Korean Chemical Society
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• v.57 no.1
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• pp.52-62
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• 2013

The interaction of titanium (IV), yttrium (III), zirconium (IV), palladium (II) and cerium (IV) with deprotonated enrofloxacin leads to the formation of the neutral or cationic mononuclear complexes. The isolated solid complexes have been characterized with physicochemical and spectroscopic techniques and thermogravimeteric analyses. The spectroscopic data indicate that the enrofloxacin ligand is on the deprotonated mode acting as bidentate ligand coordinated to the metal ions through the ketone oxygen and a carboxylato oxygen and the metal ions completed the coordination number with water molecules. The thermal decomposition mechanisms proposed for enrofloxacin and their metal complexes were discussed. The activation energies, $E^*$, enthalpies, ${\Delta}H^*$, entropies, ${\Delta}S^*$ and Gibbs free energies, ${\Delta}G^*$, of the thermal decomposition reactions have been derived from thermogravimetric (TG) and differential thermogravimetric (DTG) curves, using Coats-Redfern (CR) and Horowitz-Metzeger (HM) methods. The antimicrobial activity has been evaluated against six different microorganisms.

• Bulletin of the Korean Chemical Society
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• v.15 no.9
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• pp.762-765
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• 1994

Picosecond time-resolved resonance Raman spectroscopy has been used to study the photochemistry of Cr(CO$)_6$ in cyclohexane following photoexcitation at 266 nm. Photodissociative loss of CO is found to occur within our pulse width of ${\leq}$5 ps by probing the 533 c$m^{-1}$ vibrational mode of ground state Cr(CO$)_6$. The subsequent dynamics after photodissociation are interpreted in terms of solvation, vibrational and electronic relaxations. The vibrational relaxation time of 100 ps and 83 ps are observed by monitoring v=O and v=l of the 381 c$m^{-1}$ transient mode, respectively. No evidence was found for solvation and electronic relaxation occurring on a time scale of ${\leq}$5 ps.

• Bulletin of the Korean Chemical Society
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• v.15 no.11
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• pp.933-939
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• 1994

Using an atom superposition and electron delocalization molecular orbital (ASED-MO) method, we have investigated the vibrational and chemisorptive properties of adsorbates on a Pt(100) surface during CO oxidation. The calculated vibrational stretching frequency for a predicted structure of $[CO{\cdot}{\cdot}{\cdot}O]^*$ complex is 1642 $cm^{-1}$. The CO bond stretches by 0.05 ${\AA}$ when adsorbed on one-fold site, and is tilted by 30 ${\AA}$ from the surface normal. We find the decrease in CO vibrational frequency on going from the one-fold to the high coordination sites. Binding at the two-fold site is predicted to be favored for $Pt_{18}(100)$ and at the 1-fold site for $Pt_{23}(100)$. From the calculations of the steric interactions, we have found that pre-adsorbed oxygen modifies the surface so that CO is adsorbed on the one-fold site ordered in a $(\sqrt{2}{\times}{\sqrt}{2})R45^{\circ}$. Our results are in good agreement with recent experimental findings of Hong et al. [J.Phys. Chem. 1993, 97, 1258].

• Bulletin of the Korean Chemical Society
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• v.8 no.5
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• pp.421-423
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• 1987

The chiral B-isopinocampheyl-9-borabicyclo[3.3.1]nonane-potassium hydride (IPC-9-BBN-KH) and potassium B-isopinocampheyl-9-boratabicyclo[3.3.1]nonane (K IPC-9-BBNH) systems were applied to the enantioselective reduction of representative racemic epoxides, namely 1,2-epoxybutane, 1,2-epoxyoctane, 3,3-dimethyl-1,2-epoxybutane and styrene oxide. In the case of IPC-9-BBN-KH system, the optical yields are in the range of 8.3-37.4$\%$ ee. However, the system of K IPC-9-BBNH provides significantly lower optical yields, showing 7-22.5$\%$ ee. These results strongly suggest that the enantioselective coordination of chiral organoborane to the epoxy oxygen of racemic epoxides plays an important role in this resolution.

• Bulletin of the Korean Chemical Society
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• v.15 no.8
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• pp.669-673
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• 1994

Coordination isomers of cis-(N-N)Pt(Glu) prepared by reaction of cis-(N-N)Pt($SO_4$) (N-N=2$NH_3$, ethylenediamine(en),(R,R)-1,2-diaminocyclohexane (DACH), N,N,N',N'-tetramethylethylenediamine (TMEDA)) with barium glutamate in water have been monitored and characterized by $^1H-NMR$, $^{13}C-NMR$, IR, and mass spectra. The reaction at room temperature affords the mixture of O,O'-and N, ${\alpha}$ O-chelated platinum(II) complexes. The O,O'-chelate initially formed isomerized to N,${\alpha}$O-chelate on standing for a long time or increasing temperature. The ratio of the two isomers at room temperature depends on the nature of the nitrogen donor coligand (N-N).

• Nuclear Engineering and Technology
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• v.7 no.3
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• pp.199-206
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• 1975

A solvent extraction technique, using bis (2-ethylhexyl) phosphoric acid, (HDEHP), as the extractant, was employed to examine some characteristical difference between lighter and heavier parts of 4f series. Some difference in temperature dependencies of the distribution ratios between the two groups were observed for the aqueous systems of H$_2$SO$_4$ and HCI. This experimental results were tentatively assigned as the difference in the ability of formation of inner coordination complex with HDEHP derived from the lanthanon contraction.

• Bulletin of the Korean Chemical Society
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• v.26 no.6
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• pp.892-898
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• 2005

A long, bis(monodentate), linking Schiff-base ligand L (py-CH=N-$C_6H_4$-N=CH-py) was prepared from 1,4-phenylenediamine and 3-pyridinecarboxaldehyde by the Schiff-base condensation. Ligand L has two terminal pyridyl groups capable of coordinating to metals through their nitrogen atoms. In contrast, the same reaction between 1,2-phenylenediamine and 3-pyridinecarboxaldehyde produced a mixture of imidazol isomers (2-pyridin-3-yl-1H-benzoimidazole), which are connected to one another by the N-H…N hydrogen bonding to form a tetramer. From Zn($NO_3)_2{\cdot}6H_2O$ and ligand L under various conditions, one discrete molecule, trans- [Zn($H_2O)_4L_2]{\cdot}(NO_3)_2{\cdot}(MeOH)_2$, and two 1-D zinc polymers, [Zn$(NO_3)(H_2O)_2(L)]{\cdot}(NO_3){\cdot}(H_2O)_2$ and [Zn(L) (OBC)($H_2O$)], were prepared. In ligand L, the N$\ldots$N separation between the terminal pyridyl groups is 13.994 $\AA$, with their nitrogen atoms at the meta positions (3,3’) in a trans manner. The corresponding N$\ldots$N separations in its compounds range from 13.853 to 14.754 $\AA$.

• Korean Journal of Mineralogy and Petrology
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• v.37 no.2
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• pp.13-22
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• 2024

X-ray absorption near-edge structure (XANES) spectroscopy can provide qualitative insights into the coordination chemistry of calcium (Ca) across a variety of geological materials. However, systematic studies on Ca K-edge XANES spectral features and the Ca coordination parameters are rare. This study investigated potential correlations between the spectral features of Ca K-edge XANES and the coordination parameters of Ca for selected Ca-bearing minerals (anorthite, aragonite, calcite, diopside, dolomite, grossular, monohydrocalcite, perovskite, and wollastonite), employing density functional theory (DFT) calculations. DFT calculations accurately reproduced the main features of their experimental Ca K-edge XANES spectra for representative silicates, carbonates, and titanates. No strong correlation was observed between XANES peak positions vs. Ca-O distances (or Ca coordination numbers). However, a significant correlation was noted between the peak intensity of post-edge peaks vs. the effective coordination number of Ca in minerals of similar chemical compositions. These results show the potential, yet limited, applicability of XANES spectra for molecular-level research of Ca-bearing geomaterials, and highlight the critical role of DFT computations in interpretating XANES spectra.

• Bulletin of the Korean Chemical Society
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• v.32 no.spc8
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• pp.3031-3038
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• 2011

Ion-coordinating ruthenium complexes [cis-Ru(dcbpy)(L)(NCS)$_2$, where dcbpy is 4,4'-dicarboxylic acid-2,2'-bipyridine and L is 1,4,7,10-tetraoxa-13-azacyclopentadecane, JK-121, or bis(2-(2-methoxy-ethoxy)ethyl) amine, JK-122] have been synthesized and characterized using $^1H$ NMR, Fourier transform IR, UV/vis spectroscopy, and cyclic voltammetry. The effect of $Li^+$ in the electrolyte on the photovoltaic performance was investigated. With the stepwise addition of $Li^+$ to a liquid electrolyte, the device shows significant increase in the photo-current density, but a small decrease in the open circuit voltage. The solar cell with a hole conductor, the addition of $Li^+$ resulted in a 30% improvement in efficiency. The JK-121 sensitized cells in the liquid and solid-state electrolyte give power conversion efficiencies of 6.95% and 2.59%, respectively, under the simulated sunlight.

• Bulletin of the Korean Chemical Society
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• v.35 no.5
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• pp.1495-1500
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• 2014

Two new complexes with 5-methyl-1-(pyridine-3-yl)-1H-1,2,3-triazole-4-carboxylic acid (Hmptc) ligand: [$Cd(mptc)_2(H_2O)_4$] (1) and $[Cu(mptc)_4{\cdot}2H_2O]_n$ (2) were prepared and their crystal structures were determined by single crystal X-ray diffraction analyses. In complex 1, the Cd(II) ions coordinates with the pyridyl nitogen atom from the Hmptc ligand, forming a mononuclear Cd(II) compound. Complex 2 exhibits a novel two-dimensional (2D) polymer in which four Hmptc ligands stabilize the Cu(II) atom. And the coordination involves one nitrogen atom of the triazole, one oxygen atom of the carboxylic acid and the pyridyl nitrogen atom. In addition, FT-IR and solid-state fluorescent emission spectroscopy of two compounds have been determined.