• Journal of the Korean Chemical Society
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• v.53 no.3
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• pp.257-265
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• 2009

The structures and metal affinities of the binding configurations of $Cu^{+}$ and $Cu^{2+}$ to proline have been investigated using the hybrid three-parameter Density Functional Theory(DFT/B3LYP). We found that the metal-proline bonding and the energy ordering of several conformers were very different in $Cu^{+}$-proline and $Cu^{2+}$-proline. For $Cu^{+}$-proline, the ground state structure was found to have a bidentated coordination in which $Cu^{+}$ was coordinated to the carbonyl oxygen and imino group nitrogen of neutral proline. On the contrary, the ground state structure of $Cu^{2+}$-proline involves chelation between the two oxygens of the carboxylate group in a zwitterionic proline. The metal ion affinity of proline of the most stable $Cu^{+}$-proline complex was calculated as 76.0 kcal/mol at 6-311++G(d,p) level, whereas the $Cu^{2+}$ ion affinity of proline was calculated as 258.5 kcal/mol.

• Bulletin of the Korean Chemical Society
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• v.18 no.6
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• pp.653-656
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• 1997

The new unsymmetric $N_6$ ligand 1-amino-13-(2-pyridyl)-3,6,9,12-tetraazatridecane (aptatd) containing one pyridyl group has been synthesized and characterized by EA, IR, and NMR. Its proton association constants $(log K_H^n)$ and stability constants $(log K_{ML})$ for Co(Ⅱ), Ni(Ⅱ), Cu(Ⅱ), and Zn(Ⅱ) ions were determined at 298.1 K and ionic strength 0.100 mol $dm^{-3}$ (KNO₃) in aqueous solution by potentiometry: log $K_H^1$=8.80, log $K_H^2$=8.49, log $K_H^3$=6.84, log $K_H^4$=4.17, log $K_H^5$=3.47; log $K_{ML}(Co^{2+})$=18.00, log $K_{ML}(Ni^{2+})$=21.31, log $K_{ML}(Cu^{2+})$=23.62, log $K_{ML}(Zn^{2+})$=15.60. The X-ray structure of its nickel(Ⅱ) complex [Ni(aptatd)]$(ClO_4)_2$ are reported: orthorhombic space group Pbca, a=15.715(1) Å, b=14.280(2) Å, c=19.443(2) Å, V=4363.4 (9) ų with Z=8. The geometry around nickel is a distorted octahedron with the pyridine nitrogen atom being cis to the nitrogen atom of the terminal primary amine.

• Journal of the Korean Chemical Society
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• v.34 no.1
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• pp.37-43
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• 1990

An effect of the spin-orbit coupling interaction of ligand orbitals and the intermixing │3d 〉and│4p > transition metal atomic orbitals on the ground state for a 3$d^9$ system in a strong crystal field of tetragonally distorted tetrahedral symmetry that belongs to the $D_{2d}$ point group has been investigated in this work, applying the degenerate perturbation theory. An LCAO-MO analysis in terms of the known energies of the d-d transitions for the tetragonally distorted $CuCl_4^{2-}$ ion in a single crystal of$Cs_2CuCl_4$shows that the covalent mixing of Cu 3d and ligand Cl 3p orbitals decreases dramatically with increasing Cu 4p contribution. The extent of effect on the energy level splitting for the ground state by the spin-orbit coupling interaction of ligand orbitals decreases significantly in orderTEX>$\Gamma_7(E)\;\to\;\Gamma_6(E)\; >\;\Gamma_7(B_2)\;\to\;\Gamma_6(E)\; >\;\Gamma_7(B_2)\;\to\;\Gamma_7(E)$.

• Bulletin of the Korean Chemical Society
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• v.17 no.1
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• pp.69-72
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• 1996

The NMR dipolar shift in tetrahedral and tetragonally-distorted tetrahedral complexes for Cu(Ⅱ) has been calculated adopting nonmultipole expansion method. The exact solution of ΔB/B(ppm) is exactly in agreement with multipolar results when R, the distance between the paramagnetic ion and the nucleus, is larger than 0.2 nm. The major contribution to the dipolar shift arises from 1/R3 term but the other terms, 1/R5 and 1/R7, contribute significantly to the pseudocontact shift when R is shorter than 0.5 nm. The shift is mainly due to the 3d orbitals and sensitive to distortion parameters at short range of R.

• Korean Journal of Crystallography
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• v.16 no.1
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• pp.38-42
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• 2005

The crystal structure of Bis(ethylenediamine) cuprate(II)$\cdot$dichromate, $Cu(C_2H_8N_2)_2{\cdot}Cr_2O_7$, has been determined by X-ray crystallography. Crystal data: a=5.682(2), b=8.567(3), c=14.839(3) ${\AA},\;{\alpha}=97.50(2),\;{\beta}=101.06(1),\;{\gamma}=109.38(2)^{\circ}$ Triclinic, P-1 (SG No=2), Z=2, V=653.9(2) ${\AA}^3,\;D_c=2.030gcm^{-3},\;{\mu}=3.273mm^{-1}$. The structure was solved by Patterson method and refined by full matrix least-square methods uslng unit weights. The final R and S values were $R_1=0.0256,\;R_w=0.0708,\;R_{all}=0.0316,\;S=1.151$ for the observed 2291 reflections. The two cupper complex ion has the usual distorted octahedral structure with mean four Cu-N distances of 2.010(3) $\AA$ and the longer mean Cu-O distance of 2.525(2) $\AA$. The Cu-complex and dichromate ions are linked to form infinite chain arranged alternatively along the [111]-direction. The neighboring chains in the (0-11) plane are connected with N1-O5 and N3-O1 hydrogen bonds.

• Journal of the Korean Chemical Society
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• v.44 no.6
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• pp.507-512
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• 2000

A new copper(II) complex, Cu(dpb)(NO$_3$)$_2$(H$_2$O) (dpb=2,2'-dipyridylbenzylamine) (1) was synthesized from the reaction of Cu(NO$_3$)$_2$·3H$_2$O and dpb in ethanol solution followed by recrystallization in acetonitrile. The structure of 1 was determined by X-ray diffraction methods. The single crystal structure was characterized as follows: space group P2$_1$/c, Z=4, a=12.501(9)$\AA$, b=9.231(10)$\AA$, c=17.119(6)$\AA$, $\alpha$=90$^{\circ}$, $\beta$=107.33(4)$^{\circ}$, $\gamma$=90$^{\circ}$, V=1885.8(2)$\AA^3$, R$_1$=0.0647, $_{w}R$_2$$=0.1866 for 3258 reflections. Compound was a typical paramagnetic copper(II) complex coordinated by 2,2'-dipyridylamine derivative ligand, which was confirmed by EPR, NMR, UV/VIS, and IR spectroscopy.

• Korean Journal of Materials Research
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• v.10 no.6
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• pp.430-436
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• 2000

In this paper, we have studied the effect of constituent ratio NiO, CuO and doped with B-Bi-Zn on proper-ties(microstructure, density, shrinkage, permeability as a function of frequency, etc.) of hexagonal-ferrite for high fre- quency chip-inductor material about several GHz. The permeability were analyzed by impedance analyzer(100 kHz∼ 40 MHz) and network analyzed(30 MHz∼3 GHz). As a result of the characteristics. the B-Bi-Zn glass ceramic was used to lower the sintering temperature for additive as function of frequency from 100kHz to 1.8 GHz showed con-stant tends. The maximum imaginary value of complex permeability was observed near the resonance frequency of 2 GHz.

• Journal of Magnetics
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• v.3 no.2
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• pp.41-43
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• 1998

The frequency spectra of complex permeability have been measured as a function of ac field amplitude in the annealed amorphous $Fe_{83}Zr_7B_8Cu_2 $ ribbons. The longitudinal permeability results from the rotational magnetization at small fields, $h_o$<5 mOe in as-quenched samples. However, at the further increase of ho, the wall motion begins to be involved in the low frequency region. The permeability from the wall motion drastically decreases in the annealed sample, while that from the rotational magnetization increases up to annealing temperature of 50$0^{\circ}C$ and then drops there after.

• The Korean Journal of Ecology
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• v.19 no.3
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• pp.261-270
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• 1996

To investigate the degree of contamination from Korean coastal region, the concentrations of Cu, Pb, Zn and Cd in sediments, seawater and oyster (Crassostrea gigas) at Masan Bay, Onsan Bay, Daesan industrial complex and their control areas were analysed. Values for sediments, seawater and oyster in the industrial complex coastal region were higher than those in the control area except for seawater in Daesan. The values for dissolved phasc of Cu, Pb, Zn and Cd in seawater showed 0.3~1.75 ${\mu}g/l$, 0.013~0.12 ${\mu}g/l$, 0.20~6.14 ${\mu}g/l$ and 0.007~0.021 ${\mu}g/l$, respectively. The concentrations of Cu, Pb, Zn and Cd in sediments werd 12.0~47.8 ${\mu}g/g$, 6.16~59.5 ${\mu}g/g$, 43.0~230 ${\mu}g/g$ and 0.52~11.2 ${\mu}g/g$, respectively. The concentrations of Cu, Pb, Zn and Cd in oyster showed 12.1~85.6 ${\mu}g/g$, 0.267~1.48 ${\mu}g/g$, 1, 070~3, 250 ${\mu}g/g$ and 3.23~7.71 ${\mu}g/g$, respectively. The contents of heavy metals in oysters at industrial complex coastal region showed that they were not seriously contaminated compared with those of Mussel Watch (1992).

• Bulletin of the Korean Chemical Society
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• v.33 no.2
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• pp.473-482
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• 2012

A novel malemide epoxy containing Co(II), Ni(II) and Cu(II) ions have been synthesized by curing malemide epoxy resin (MIEB-13) and Co(II), Ni(II) and Cu(II) complexes of macrocyclic bis-hydrazone Schiff base. The Schiff base was synthesized by reacting 1,4-dicarbnyl phenyl dihydrazide with 2,6-diformyl-4-methyl phenol. The Schiff base and its Co(II), Ni(II) and Cu(II) complexes have been characterized by elemental analyses, spectral (IR, $^1H$ NMR, UV-vis., FAB mass, ESR), thermal and magnetic data. The curing reaction of maleimide epoxy compound with metal complexes was studied as curing agents. The stability of cured samples was studied by thermo-gravimetric analyses and which have excellent chemical (acid/alkali/solvent) and water absorption resistance. Further, the scanning electron microscopy (SEM) and definitional scanning colorimetric (DSC) techniques were confirmed the phase homogeneity of the cured systems.