• Journal of the Korean Chemical Society
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• v.17 no.4
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• pp.240-246
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• 1973

An analytic expression for the intensity of collision-induced light scattering obstained by introducing both short-range and long-range effects on the induced anisotropy. By taking argon as a specific example, it is shown that a narrow band at small frequency shifts is caused by long-range effects, while a broad band in the far wing of the spectrum is due to short-range effects. The overall intensity is a synthesis of these two bands and does not follow a simple exponential form. As temperature increases, the intensity at large frequency shifts increases makedly, while at small frequency shifts it changes little.

• Bulletin of the Korean Chemical Society
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• v.3 no.3
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• pp.104-109
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• 1982

A method to calculate the magnetic moments for $d^1$ and $d^2$ complexes in a strong crystal field of trigonal symmetry has been developed in this work choosing the trigonal axis (Ⅲ) as the quantization axis. The calculated magnetic moments using this method for $d^1$ and $d^2$ complexes in a strong trigonal ligand field fall in the range of the experimental values. The dipolar shifts for $d^1$ and $d^2$ complexes in a strong trigonal ligand field are also calculated using the calculated magnetic susceptibility components. The calculated values of the dipolar shifts also fall in the reasonable range.

• Bulletin of the Korean Chemical Society
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• v.23 no.9
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• pp.1241-1255
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• 2002

Series of m- and p-substituted benzyl derivatives of pyrrole, tetramethyl 1-benzyl-3a,7a-dihydroindole-2,3,3a,4-tetracarboxylate, and trimethyl 1-benzylindole-2,3,4-tricarboxylate were prepared and their 13C NMR spectra were obtained in 0.1 M solutions of chloroform-d. Both single substituent parameter and dual substituent parameter analyses were carried out to correlate the substituent chemical shifts. The ${\beta}$ carbon of the indole series showed the most profound substituent effect dependence as well as the best correlation. The results are explained by the hyperconjugation of the benzyl methylene group.

• Bulletin of the Korean Chemical Society
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• v.30 no.10
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• pp.2351-2354
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• 2009

A series of N-arylsuccinanilic acids, N-arylsuccinimides, N-arylmaleanilic acids, and N-arylmaleimides was prepared and their NMR spectra were examined by correlating the $^1H\;and\;^{13}C$ chemical shift values with the corresponding Hammett $\sigma$ values. The carbonyl carbons of the amides show a normal correlation with $\sigma$ but those of the imides show an inverse correlation.

• Bulletin of the Korean Chemical Society
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• v.31 no.6
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• pp.1689-1694
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• 2010

Substituent chemical shifts were examined for the 2- and 3-thiophene derivatives of chalcone and compared to the thiophene series of derivatives with the phenyl series. The chemical shift values for the ${\alpha}$-carbons of the enones showed and inverse correlation with the Hammett $\sigma$ values, but the correlation coefficients were moderate (r = 0.836 - 0.878). On the other hand, the $\beta$-carbons showed a normal correlation with excellent correlation coefficients (r = 0.994). The absolute magnitude of the $\rho$ values for the $\alpha$-carbon are about half of those of the $\beta$-carbon. The observation may be the result of a through-space transition of the electronic effect of the substituents in addition to the through bond transition.

• Bulletin of the Korean Chemical Society
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• v.24 no.7
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• pp.981-985
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• 2003

Fluorine-19 NMR solution measurements have been made for various phenyl-fluorinated iron porphyrin complexes. Large chemical shifts for phenyl fluorine signals of iron(III) and iron(II) are observed, and these signals are sensitive to electronic structure. The chemical shift differences in ortho-phenyl fluorine signals between high-spin ferric and low-spin ferric tetrakis(pentafluorophenyl)porphyrins are approximately 40 ppm, whereas the differences are approximately 7 ppm between high- and low-spin states of ferrous tetrakis(pentafluorophenyl)porphyrin complexes. Analysis of fluorine-19 isotropic shifts for the iron(III) tetrakis(pentafluorophenyl) porphyrin using fluorine-19 NMR indicates there is a sizable contact contribution at the ortho-phenyl fluorine ring position. Large phenyl fluorine-19 NMR chemical shift values, which are sensitive to the oxidation and spin states, can be utilized for identification of the solution electronic structures of iron(III) and iron(II) porphyrin complexes.

• Journal of the Korean Chemical Society
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• v.40 no.6
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• pp.415-419
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• 1996

Hydrogen bonding, dielectric effects and steric effects are all factors which determine the carbonyl stretching frequency, νC=O of ketones in solution. The νC=O frequency of ketones is affected by change in concentration of ketones in various solvents. The νC=O frequency shifts to lower frequency in nonpolar solvents and shifts to higher frequency in polar solvents with the increasing volume% of ketones. In acetonitrle, the νC=O frequency shifts to higher frequency as the volume% of ketones is increased except dimethyl ketone. The νC=O frequency shifts to lower frequency as the solvent system becomes increasingly polar or with the increasing extent of intermolecular hydrogen bonding, as in the case of increasing volume% chloroform in $CHCl_3$/$CCl_4$ solvent system.

• Bulletin of the Korean Chemical Society
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• v.27 no.11
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• pp.1752-1756
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• 2006

This study explores and interprets in a new way the complex solvent and the temperature dependence of the NMR shifts for the N-$CH_2$ protons in tris(N,N-diethyldithiocarbamato) iron(III) in acetone, benzene, carbon disulfide, chloroform, dimethylformamide and pyridine. The NMR shifts are interpreted in terms of the Fermi contact interaction and the dipolar term from the multipole expansion of the interaction of the electron orbital angular momentum and the electron spin dipolar-nuclear spin angular momentum. This analysis yields a direct measure of the effect of the solvent system on the environment of the transition metal ion. The results are analysed in terms of the crystal field environment of the transition metal ion with contributions from (a) the dithiocarbamate ligand (b) the solvent molecules and (c) the interaction of the effective dipole moment of the polar solvent molecule with the transition metal ion complex.

• Bulletin of the Korean Chemical Society
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• v.31 no.5
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• pp.1339-1342
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• 2010

$^{31}P$ NMR and ESI-MS studies of $Cu^{2+}$ binding to Fenitrothion (FN) were performed by experimentally and theoretically. The calculated $^{31}P$ NMR chemical shifts for FN-$Cu^{2+}$ complexes are in good agreement with experimental chemical shifts in order, and the results present an important information for organophosphorus pesticide metal complexes. ESI-MS and low energy CID MS/MS experiments of FN-$Cu^{2+}$ complexes combined with accurate mass measurements give insight into the metal localization and allow unambiguous identification of fragments and hydrolysis products.

• Bulletin of the Korean Chemical Society
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• v.32 no.11
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• pp.4021-4026
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• 2011

Functions of the luteinizing hormone releasing hormone (LHRH) and its induced release by divalent metal ions have received great attention because this neurotransmitter subsequently regulates the secretion of luteinizing hormone (LH). Metal-LHRH complexes were synthesized by addition of various Cu(II),Ni(II),Zn(II) ions into LHRH in order to understand how the induced release of LHRH is possible. The degree of complexation was monitored by $^1H$, $^{13}C$-NMR chemical shifts, and final products were identified by Mass spectrometry. Solutionstate structure determination of Zn(II)-LHRH out of metal-complexes was accomplished by using NMR and NMR-based distance geometry (DG). Interproton distance information from nuclear Overhauser effect spectroscopy was utilized for structure determination. Structure obtained in this study has a cyclic conformation exhibiting a specific ${\alpha}$-helical turn with residue numbers His[2]-Leu[7] out of 10 amino acids. Comparison of chemical shifts and EPR studies of Ni(II),Cu(II)-LHRH complexes exhibit that these metal complexes have 4-coordination geometry.