• Bulletin of the Korean Chemical Society
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• v.27 no.9
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• pp.1405-1417
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• 2006

The geometrical structures, potential energy surfaces, and energetics for the ligand exchange reactions of tetracoordinated platinum $(PtY_2L_2\;:\;Y,\;L=Cl^-,\;OH^-,\;OH_2,\;NH_3)$ complexes in the ligand-solvent interaction systems were investigated using the ab initio Hartree-Fock (HF) and Density Functional Theory (DFT) methods. The potential energy surfaces for the ligand exchange reactions used for the conversions of $(PtCl_4\;+\;H_2O)^{^\ast_\ast}\;to\;[PtCl_3(H_2O)\;+\;Cl^-]$ and $[Pt(NH_3)_2Cl_2\;+\;H_2O]$$[Pt(NH_3)_2Cl_2\;+\;H_2O]$ to $[Pt(NH_3)_2Cl(H_2O)\;+\;Cl^-] $ were investigated in detail. For these two exchange reactions, the transition states $([PtY_2L_2{\cdot}{\cdot}{\cdot}L^\prime])^{^\ast_\ast} $ correspond to complexes such as $(PtCl_4{\cdot}{\cdot}{\cdot}H_2O)^{^\ast_\ast}$ and $[Pt(NH_3)_2Cl_2{\cdot}{\cdot}{\cdot}H_2O]^{^\ast_\ast}$, respectively. In the transition state, $([PtCl_4{\cdot}{\cdot}{\cdot}H_2O]^{^\ast_\ast}$ and $[Pt(NH_3)_2Cl_2{\cdot}{\cdot}{\cdot}H_2O]]^{^\ast_\ast})$ have a kind of 6-membered $(Pt-Cl{\cdot}{\cdot}{\cdot}HOH{\cdot}{\cdot}{\cdot}Cl)$ and $(Pt-OH{\cdot}{\cdot}{\cdot}Cl{\cdot}{\cdot}{\cdot}HN)$ interactions, respectively, wherein a central Pt(II) metal directly combines with a leaving $Cl^-$ and an entering $H_2O$. Simultaneously, the entering $H_2O$ interacts with a leaving $Cl^-$. No vertical one metal-ligand interactions $([PtY_2L_2{\cdot}{\cdot}{\cdot}L^\prime]) $ are found at the axial positions of the square planar $(PtY_2L_2)$ complexes, which were formed via a vertically associative mechanism leading to $D_{3h}$ or $C_{2v}$-transition state symmetry. The geometrical structure variations, molecular orbital variations (HOMO and LUMO), and relative stabilities for the ligand exchange processes are also examined quantitatively. Schematic diagrams for the dissociation reactions of {PtCl4(H2O)n(n=2,4)} into {$PtCl_3(H_2O)_{(n-2)}\;+\;Cl^-(H_2O)_2$} and the binding energies {$PtCl_4(H_2O)_n$(n = 1-5)} of $PtCl_4$ with water molecules are drawn.

• Journal of the Korean Chemical Society
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• v.51 no.2
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• pp.193-200
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• 2007

This study investigated the effects of situational context feedback in CAI upon students' conceptual understanding, science learning motivation, and the perception of CAI. Seventh graders (N = 114) from a coed middle school in Incheon were assigned to the situational context feedback CAI (SCF-CAI), the feedback CAI (F-CAI) and the CAI groups, and were taught about ‘three states of matter' and ‘motion of molecules' for 8 class hours. Prior science achievement test score used as a blocking variable. Two-way ANCOVA results revealed that the conceptual understanding test scores of the SCF-CAI group were significantly higher than those of the other groups. For the higher achievers, the scores of the F-CAI group in science learning motivation test were significantly higher than those of the CAI group. However, there was no significant difference among the lower achievers of three groups. The higher achievers in the SCFCAI and the F-CAI groups perceived the CAI more positively than those of the CAI group. The lower achievers in the FCAI group perceived the CAI more negatively than those of the other groups. Educational implications are discussed.

• Journal of Environmental Health Sciences
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• v.46 no.5
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• pp.565-575
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• 2020

Objective: South Korea still lacks systematic national poisoning data collection or a poison control center (PC). The objectives of this study are to provide estimates of poisoning incidents in South Korea and to stress the necessity of a national poisoning surveillance framework managed by a national PC. Method: The number of poisoning incidents was estimated based on the 2018 annual report of the American Association of Poison Control Centers' National Poison Data System (NPDS). Our estimation of poisoning data was classified according to age group, reason for poison exposure, and case management site. Results: Total poisoning cases estimated numbered 326,636, which is tantamount to 631 cases per 100 thousand. Poisoning cases among those younger than five years old accounted for 71.7% in the United States. Fatal poisoning cases were estimated to be 210.63 (95% CI: 199.70-222.15). Non-intentional poisoning cases (250,378 cases, 95% CI: 249,992-250,764, 76.7%) were estimated to be far higher than intentional cases (62,399 cases, 95% CI: 62,207-62,593, 19.1%). Conclusion: Our results can be used to suggest the necessity of producing national poisoning data and establishing a PC despite the uncertainty of estimation.

• Journal of the Korean Chemical Society
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• v.43 no.1
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• pp.110-118
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• 1999

In this study, the instructional influences of the conceptual change model based on the cognitive conflict and the conceptual change model emphasizing the social consensus were investigated. The subjects were 109 7th-graders in a boys' middle school in Seoul, and were taught about the changes of states, density, and dissolution for 8 class periods. The hypotheses provided in the instructions were constructed from the results of a pilot test. Prior to the instructions, three tests regarding the perceptions of discussion, the attitudes toward science instructions, and the perceptions of participation were administered. Two types of the conceptual change instructions and the traditional instruction were used in the treatment groups and the control group, respectively. After the instructions, the students' achievement, the conceptions, the perceptions of discussion, the attitudes toward science instructions, and the perceptions of participation were investigated. ANCOVA results revealed that the scores of the treatment groups were significantly higher than those of the control group in the achievement test. Although the score of the treatment group using the conceptual change model emphasizing social consensus were higher than those of other groups in the conceptions test, the differences were not statistically significant. The perceptions of discussion were significantly more positive in the treatment group using the conceptual change model emphasizing social consensus than in the control group. However, there were no significant differences in the scores of the attitudes toward science class and the perceptions of participation among the three groups. Educational implications are discussed.

• 한국신재생에너지학회:학술대회논문집
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• 2005.11a
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• pp.561-566
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• 2005

Polycrystalline silicon films were deposited using hot wire CVD (HWCVD). The deposition of silicon thin films was approached by the theory of charged clusters (TCC). The TCC states that thin films grow by self-assembly of charged clusters or nanoparticles that have nucleated in the gas phase during the normal thin film process. Negatively charged clusters of a few nanometer in size were captured on a transmission electron microscopy (TEM) grid and observed by TEM. The negatively charged clusters are believed to have been generated by ion-induced nucleation on negative ions, which are produced by negative surface ionization on a tungsten hot wire. The electric current on the substrate carried by the negatively charged clusters during deposition was measured to be approximately $-2{\mu}A/cm^2$. Silicon thin films were deposited at different $SiH_4$ and $H_2$ gas mixtures and filament temperatures. The crystalline volume fraction, grain size and the growth rate of the films were measured by Raman spectroscopy, X-ray diffraction and scanning electron microscopy. The deposit ion behavior of the si1icon thin films was related to properties of the charged clusters, which were in turn controlled by the process conditions. In order to verify the effect of the charged clusters on the growth behavior, three different electric biases of -200 V, 0 V and +25 V were applied to the substrate during the process, The deposition rate at an applied bias of +25 V was greater than that at 0 V and -200 V, which means that the si1icon film deposition was the result of the deposit ion of charged clusters generated in the gas phase. The working pressures had a large effect on the growth rate dependency on the bias appled to the substrate, which indicates that pressure affects the charging ratio of neutral to negatively charged clusters. These results suggest that polycrystalline silicon thin films with high crystalline volume fraction and large grain size can be produced by control1ing the behavior of the charged clusters generated in the gas phase of a normal HWCVD reactor.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2008.04a
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• pp.41-41
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• 2008

In general, polyimides (PIs) are used in alignment layers in liquid crystal displays (LCDs). The rubbing alignment technique has been widely used to align the LC molecules on the PI layer. Although this method is suitable for mass production of LCDs because of its simple process and high productivity, it has certain limitations. A rubbed PI surface includes debris left by the cloth, and the generation of electrostatic charges during the rubbing induces local defects, streaks, and a grating-like wavy surface due to nonuniform microgrooves that degrade the display resolution of computer displays and digital television. Additional washing and drying to remove the debris, and overwriting for multi-domain formation to improve the electro-optical characteristics such as the wide viewing angle, reduce the cost-effectiveness of the process. Therefore, an alternative to non-rubbing techniques without changing the LC alignment layer (i.e, PI) is proposed. The surface of LC alignment layers as a function of the ion beam (IE) energy was modified. Various pretilt angles were created on the IB-irradiated PI surfaces. After IB irradiation, the Ar ions did not change the morphology of the PI surface, indicating that the pretilt angle was not due to microgrooves. To verify the compositional behavior for the LC alignment, the chemical bonding states of the ill-irradiated PI surfaces were analyzed in detail by XPS. The chemical structure analysis showed that ability of LCs to align was due to the preferential orientation of the carbon network, which was caused by the breaking of C=O double bonds in the imide ring, parallel to the incident 18 direction. The potential of non-rubbing technology for fabricating display devices was further conformed by achieving the superior electro-optical characteristics, compared to rubbed PI.

• Journal of the Korean Vacuum Society
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• v.13 no.2
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• pp.86-91
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• 2004

Transiton-metal gallides attract wide interest as a candidate for high-temperature structural materials. In a wide composition range, in which it was known that Co-Ga alloy have CsCl (B2) crystallographic structure, a systematic study on the correlation between physical properties and electronic structures of Co-gallides was performed. $Co_{l-x}Ga$ $_{x}$ alloys ($0.35\leq$x$\leq0.55$) were prepared by arc-melting method and were annealed at $1000 ^{\circ}C$ for 48hour to increase the homogeneity. In this composition range all the prepared alloys have the CsCl (B2) structure. The chemical states and the electronic structure were studied by using x-ray photoemission spectroscopy (XPS), and x-ray absorption near-edge structure (XANES), and exhibit different physical properties depending on the composition. During the annealing, a significant oxidation has happened and all the oxygen atoms are incorporated with the Ga atoms to form a $Ga_2O_3$ phase. In a view point of electronic structure, the $Co_{l-x}Ga$ $_{x}$ alloys were formed by the Ga(p) - Co(d) hybridization.

• Journal of Environmental Health Sciences
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• v.39 no.4
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• pp.312-321
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• 2013

Objective: In May 2011, an interview with three United States Forces Korea veterans revealed that chemicals believed to be 'Agent Orange' were buried at Camp Carroll (situated in Waegwan, Chilgok-gun, Gyeongsangbuk-do, Korea) in 1978. Many hazardous chemicals, such as perchloroethylene (PCE), trichloroethylene (TCE), and organochlorines were subsequently found in a joint US-ROK environmental investigation, although dioxins or burial evidence related to 'Agent Orange' have been not uncovered. This study was carried out to investigate the relevance of hazardous chemical exposure and health effects of the residents around Camp Carroll. Methods: The authors conducted a health questionnaire survey among residents around Camp Carroll regarding Waegwan groundwater ingestion, length of residence in Waegwan, and physician-diagnosed disease history (such as cancer, hypertension, diabetes and etc.). Logistic regression was performed to identify the associations between hazardous chemical exposure and physician-diagnosed diseases. Results: Among the 5,320 residents, excluding those living outside the Waegwan area, 3,430 subjects age 30 and over were analyzed. Among females, upon correction of age, smoking history and Camp Carroll working history, a higher distribution in the Waegwan groundwater ingestion group was demonstrated for patients with physician-diagnosed cancer and hypertension. The odds ratios have a tendency to increase with increased length of Waegwan groundwater ingestion. Conclusions: This study may be limited by not adopting a cohort study for the evaluation of factors that may confound environmental exposure. Yet it is meaningful that the correlation between Waegwan groundwater ingestion and chronic diseases were found through regression analysis in female; and further, this outcome may be used as a sampling basis for a secondary epidemiologic study.

• Journal of the Korean Chemical Society
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• v.33 no.4
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• pp.357-365
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• 1989

The positional parameters of framework atoms, cations, and water molecules in hydrated and dehydrated $Mg_4Na_4-A$, $Ca_6-A$, $Zn_5Na_2-A$ and $Co_4Na_4-A$ were determined by the optimization technique using some potential energy functions and VAIOA optimization program. Upon dehydration, cations in hydrated states move toward the framework oxygens of 6 rings. Frameworks of fully dehydrated zeolite A are more stable than those of fully dehydrated divalent cation exchanged Zeolite A. There are three different kinds of water molecules in divalent cation exchanged Zeolite A; W(III) (water molecules having hydrogen bonds), W(II) (water molecules associated with $Na^+$ ions), and W(I) (water molecules associated with divalent cations). Three different DTA endothermic peaks were observed corresponding to the dehydration of three different kinds of water molecules in divalent cation exchanged Zeolite A.

• Journal of the Korean Chemical Society
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• v.33 no.6
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• pp.633-643
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• 1989

The R$Rh_2(ap)_4$(2,2-trans) isomer (ap = 2-anilinopyridinate), which has two anilino nitrogens and two pyridyl nitrogens bound to each rhodium ion trans to their own kind, shows activation towards the one electron reduction of dioxygen at -0.40 V vs SCE. The ESR spectrum taken at 123 K proves the formation of a $[Rh_2(ap)_4(O_2)]$ ion with oxygen axially bound to one rhodium ion and the complex is at a RhⅡ2 oxidation state. The complex will form [$Rh_2(ap)_4(O_2)(CH_3CN)]^-$ in presence of $CH_3CN/CH_2Cl_2$ mixture without breaking the Rh-$O_2^-$ bond. When oxidized at -0.25 and 0.55 V, $[Rh_2(ap)_4(O_2)]$ will undergo two one electron oxidations to form $Rh_2(ap)_4(O_2)[Rh_2(ap)_4(O_2)]^+$. Both species have an axially bound superoxide ion but the former is at $Rh^{II}Rh^{III }$and the later at $Rh^{III}_2$ oxidation states. The ESR spetra and $CH_3CN$ addition study, on the other hand, show that the later complex is better described as $[Rh_{II}Rh^{III}(ap)_4(O_2)]^+$ with the odd electron localized on rhodium ion and the complex has an axially coordinated molecular oxygen. The electrochemical and ESR studies also show that the degree of dioxygen activation is a function of electrochemical redox potential.