• Journal of Korean Neurosurgical Society
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• v.44 no.5
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• pp.345-347
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• 2008

We report a case of trigonal cavernous malformation (CM) radiologically mimicking meningioma. The computed tomographic (CT) head angiography and magnetic resonance imaging (MRI) showed a partially calcified lesion with slight contrast enhancement located in the area of the left atrium of lateral ventricle. The lesion was completely removed using microsurgery with a parieto-occipital transcortical approach. The resected mass was histologically confirmed as CM. CM should be considered as differential diagnosis in case of the atrial mass lesion due to lack of hemosiderin ring characteristically seen other seated CM.

• Bulletin of the Korean Chemical Society
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• v.32 no.3
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• pp.889-893
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• 2011

The energetics and transition state (TS) structures of the reactions of six substrates, $R_1R_2P$(=O or S)Cl-type where $R_1=R_2$=Me and/or MeO, with ammonia in acetonitrile are theoretically investigated at the level of CPCM-MP2/6-31+G(d) and CPCM-MP2/6-311+G(3df,2p). The degrees of distortion of TS from the ideal trigonal bipyramidal pentacoordinate, ${\Delta}{{\delta}}_{{\neq}b}$ for a backside and ${\Delta}{{\delta}}_{{\neq}f}$ for a frontside attack, are calculated. The results of calculation suggest that the feasibility of a frontside attack for P=S is greater than that for P=O system when the two ligands, $R_1$ and $R_2$, becomes larger. The experimental and calculated results of anilinolyses of $R_1R_2P$(=O or S)Cl-type show the consistent tendencies.

• Bulletin of the Korean Chemical Society
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• v.25 no.9
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• pp.1392-1396
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• 2004

The micellization of dodecylpyridinum chloride (DPC) assembled on aqueous gold nanoparticles has been studied as a function of concentration using Surface-Enhanced Raman Scattering (SERS). At the low concentration, the strong SERS band of the benzene ring moiety was observed at 1025 $cm^{-1}$, and assigned to “trigonal ring breathing”. According to high concentration of DPC, a new strong band was also appeared at 1012 $cm^{-1}$, which was assigned to “totally symmetry ring breathing”. The difference of two spectra seems to ascribe to the geometry of polar head group, i.e., pyridinium cation. These geometry exist flat-down at low concentration, whereas standing-up or tilted geometry at high concentration. The critical micelle concentration (CMC) was first obtained from the ratio of intensities of the two bands related to the benzene ring moiety by vibrational spectroscopy, and was about 28 mM. After the CMC, the benzene ring moiety in the micelle state was more restricted than in monomer state because there is no more change of intensities at 1012 $cm^{-1}$. In addition, the size of gold-assembled micelle was estimated using light scattering and it was about 328.3 nm.

• Bulletin of the Korean Chemical Society
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• v.8 no.1
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• pp.1-3
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• 1987

The crystal structure of $K_5Na_2[SbW_6O_{24}]{\cdot}12H_2O$ has been determined. Final R = 0.081 for 890 observed independent reflections collected by diffractometry. Crystal data as follows; trigonal, space group R3m, a = 9.794(1) ${\AA},\;{\alpha}$ = 84.72$(1)^{\circ}$, Z = 1. The heteropolyanion has a structure with point symmetry $D_{3d}$ (3m), of the ideal Anderson-type heteropolyanion. The Sb-W and W-W distances are 3.259(2) and 3.259(3) ${\AA}$. Three types of W-O ($W-O_t,\;W-O_b\;and\;W-O_c$) distances are 1.73(2), 1.95(4) and 2.20(3) ${\AA}$. The Sb-O distance is 1.97(3) ${\AA}$.

• Bulletin of the Korean Chemical Society
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• v.9 no.2
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• pp.87-94
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• 1988

The substitution reaction of Fe$(CO)_5$ by ethylene has been studied for plausible intermediates by means of extended Huckel calculations. Among various reaction mechanisms the favorable reaction pathway is via a dissociative mechanism in which ethylene approaches to Fe$(CO)_4$ unit. For Fe$(CO)_4$ fragment, the square planar conformation is found to be the most stable form by the extended Huckel calculations. Our calculations show that ethylene attacks square planar intermediate formed by removing one carbonyl from Fe$(CO)_5$ and then the unstable species thus formed is distored to the most stable trigonal bipyramid with the ethylene lying in the equatorial plane.

• Bulletin of the Korean Chemical Society
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• v.16 no.9
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• pp.870-873
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• 1995

A new ternary transition-metal selenide, Ta2Ni3Se8 has been synthesized from a eutectic halide flux. The structure of this phase has been characterized by single crystal X-ray diffraction techniques. The compound crystallizes in the orthorhombic system (D2h9-Pbam, a= 14.788(4) Å, b= 10.467(3) Å, c=3.4563(8) Å) with two formula units in the unit cell. This compound adopts the Nb2Pd3Se8 structure type. Hence, there are two chains of edge-sharing selenium trigonal prisms centered by tantalum atoms and these chains are interconnected through two kinds of nickel atoms. Nickel occupies both square planar and square pyramidal sites as does palladium in Nb2Pd3Se8. Electrical conductivity measurements indicate that this material is semiconducting.

• Bulletin of the Korean Chemical Society
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• v.18 no.9
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• pp.976-981
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• 1997

The magnetic susceptibilities of molybdenum ions with 4d1 electronic configuration in the octahedral crystal field were calculated on the basis of ligand field theory. The experimental magnetic susceptibilities for molybdenum ions, which are stabilized at the octahedral site in the perovskite lattice of Ba2ScMoⅤO6 and Sr2YMoⅤO6, were compared with the theoretical ones. We have tried to fit their temperature dependence of magnetic susceptibility with ligand field parameters, spin-orbit coupling constant ζSO, and orbital reduction parameter κ according to intermediate field coupling and strong field theory. Strong field coupling theory could not explain experimental curves without unrealistically large axial ligand field, since it ignores the mixing up between different state via spin-orbit interaction and ligand field. On the other hand, the intermediate field coupling theory could successfully reproduce experimental data in octahedral and trigonal ligand field. The fitting result demonstrates not only the fact that spin-orbit interaction is primarily responsible for the variation of magnetic behavior but also the fact that effective orbital overlap, enhanced by cubic crystal structure, reduces significantly orbital angular momentum as indicated by κ parameter.

• Bulletin of the Korean Chemical Society
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• v.13 no.4
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• pp.404-406
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• 1992

A new estertin, $CH_2CH_2OOCCHCH_2SnCl_3$, was prepared and its structure was determined by X-ray crystallography ($P2_12_12_1$; a = 9.439(l), b = 9.601(l), c = 10.779(I) $\AA$, Z = 4) and refined to R = 0.0356. The coordination geometry around the tin atom approximates to a trigonal bipyramid with the intramolecularly coordinated oxygen O(1), (Sn-O(1), $2.482(6){\AA})$ and Cl(2) occupying mutually trans positions (O(1)-Sn-Cl((2), $176.4(2)^{\circ}$).

• Bulletin of the Korean Chemical Society
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• v.17 no.12
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• pp.1149-1153
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• 1996

Ab initio and extended Huckel calculations were carried out on the isomers of trans-RhCl(η2-C2H2)(PH3)2 (1). Due to π-back donation in 1 complex, the rotational energy barrier of alkyne ligand is computed to be in the range of 18.6-25.2 kcal/mol at MP4 levels. The optimized hydrido-alkynyl complex (2) at ab initio level has the distorted trigonal bipyramidal structure. Vinylidene complex (3) is computed to be more stable than 1 complex by 17.1 kcal/mol at MP4//MP2 level. The stabilities of isomers show similar trend at the various level calculations, that is, EHT, MP4//HF, and MP4//MP2 levels. The optimized geometries at ab initio level are in reasonable agreement with experimental data. A detailed account of the bonding in each isomers (1-3) have been carried out in terms of orbital analyses.

• Bulletin of the Korean Chemical Society
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• v.18 no.11
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• pp.1186-1191
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• 1997

Solvolyses of methanesulfonyl chloride (CH3SO2Cl) in water and methanol have been studied theoretically using ab initio self-consistent reaction field (SCRF) molecular orbital method. All stationary structures including transition state on the potential energy surface in solution have been found and compared with the gas phase structures. The overall reaction occurs via a concerted SN2 mechanism with a non-cyclic trigonal bipyramidal transition state, and the activation barrier is lowered significantly in solution. The transition state for the hydrolysis reaction is looser than that for the methanolysis reaction, and this is in accord with the experimental findings that an SN2 type mechanism, which is shifted toward an SN1 process or an SAN process in the hydrolysis and alcoholysis reaction, respectively, takes place. The catalytic role of additional solvent molecules appears to be a purely general-base catalysis based on the linear transition structures. Experimental barrier can be estimated by taking into account the desolvation energy of nucleophile in the reaction of methanesulfonyl chloride with bulk solvent cluster as a nucleophile.