• Bulletin of the Korean Chemical Society
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• v.15 no.8
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• pp.658-662
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• 1994

Ab initio and extended Huckel calculations have been applied to discuss the electronic structure, ring inversion barrier, and geometry of the $Cp_2TiS_3$ compound. The deformation of four membered ring in the planar geometry is originated from a second-order Jahn-Teller distortion due to the small energy gap between HOMO and LUMO on the basis of extended Huckel calculations. The puckered $C_s$ geometry is stabilized by the interaction of the $x^2-y^2$ metal orbital with the hybrid orbital in sulfur. Ab initio calculations have been carried out to explore the ring inversion process for the model $Cl_2TiS_3$ compound. We have optimized $C_s$ and $C_{2v}$ structures of the model compound at the RHF level. The energy barriers for the ring inversion are sensitive to the used basis set. With 4-31$G^*$ for the Cl and S ligands, the barriers are computed to be 8.41 kcal/mol at MP2 and 8.02 kcal/mol at MP4 level.

• Macromolecular Research
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• v.8 no.5
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• pp.238-242
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• 2000

The new trisiloxane-bridged heterometallic dinuclear metallocenes, hexamethyltrisiloxanediyl(cyclopentadienyltitanium trichloride) (cyclopentadienylindenyl zirconium dichloride) , $C_3ITi-Cp(CH_3)_2Si-O-Si(CH_3)_2-O-Si(CH_3)_2-Cp-ZrIndCI_2$ (1) and hexamethyltrisiloxanediyl (cyclopentadienylindenylhafnium dichloride) (cyclopentadienylindenyl zirconium dichloride), $C_2IndHf-Cp(CH_3)_2Si-O-Si(CH_3)_2-Cp-ZrIndCl_2$ 2) connecting two dissimilar metallocenes were synthesized and used for ethylene polymerization in the presence of modified methylaluminoxane (MMAO) cocatalyst. The catalytic activity of heterometallic dinuclear metallocenes, 1 and 2 was lower than that of corresponding mononuclear metal-locene as well as two physically mixed catalysts, $CpTiCl_2/Cp_2ZrCl_2 and Cp_2HfCl_2/Cp_2ZrCl_2$. On the tither hand, MWD of PE obtained with 1 and 2 was remarkably broader ($M_w/M_n$) became up to 9.4) than those of PEs prepared with the corresponding mononuclear metallocenes and mixed catalysts. With analysis by GPC and CFC, it was found that PE produced by the heterometallic dinuclear metallocenes exhibited the definite bimodal GPC curves that should cause the broadening of MWD.

• Journal of Technologic Dentistry
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• v.23 no.2
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• pp.223-230
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• 2002

Pure titanium and Ti6Al4V alloy have been mainly used as implant materials but the cytotoxicity of V, neurotoxicity of Al resulting in Alzheimer disease had been reported. This paper was described the influence of composition of Ti-Nb alloys with 3 wt%Nb, 20 wt%Nb on the microstructure and corrosion resistance. Specimens of Ti alloys were melted in vacuum arc furnace and homogenized at $1000^{\circ}C$ for 24hr. The alloys were rolled in $\beta$ and ${\alpha}+{\beta}$ regions. The corrosion resistance of Ti alloys were evaluated by potentiodymic polarization test in 0.9% NaCl and 5% HCl solutions. The results can be summarized as follows: 1. The microstructure was transformed from $\alpha$ phase to ${\alpha}+{\beta}$ phase by adding Nb 2. The hardness of Ti-20Nb alloy was greater than Cp- Ti, Ti-3Nb alloy. 3. The corrosion resistance of Ti-20Nb alloy was better than that of Cp-Ti, Ti-3Nb alloy in 0.9%NaCl and 5%HCl solutions.

• Bulletin of the Korean Chemical Society
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• v.8 no.6
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• pp.484-485
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• 1987

• Bulletin of the Korean Chemical Society
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• v.26 no.2
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• pp.233-237
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• 2005

Cyclopentadiene compounds, 2-[CR'R(OMe)]-1,3-Me$_2C_5H_3$ (R, R' = 2,2'-biphenyl, 2) and 2-[CR'R(OSiMe$_3$)]-1,3-Me$_2C_5H_3$ (R, R' = 2,2'-biphenyl, 3; R = ph, R' = ph, 4; R = 2-naphthyl, R' = H, 5) are readily synthesized from 2-bromo-3-methoxy-1,3-dimethylcyclopentene (1). Reaction of the cyclopentadienes with Ti(NMe$_2$)$_4$ in toluene results in clean formation of the cyclopentadienyl tris(dimethylamido)titanium complexes, which are transformed to the trichloride complexes, 2-[CR'R(OMe)]-1,3-Me$_2C_5H_2$}TiCl$_3$ (R, R' = 2,2'-biphenyl, 6) and {2-[CR'R(OSiMe$_3$)]-1,3-Me$_2C_5H_2$}TiCl$_3$ (R, R' = 2,2'-biphenyl, 7; R = ph, R' = ph, 8; R = 2-naphthyl, R' = H, 9). Attempts to form C1-bridged Cp/oxido complexes by elimination of MeCl or Me$_3$SiCl were not successful. X-ray structures of 6, 7 and an intermediate complex {2-[Ph$_2$C(OSiMe$_3$)]-1,3-Me$_2C_5H_2$}TiCl$_2$(NMe$_2$) (10) were determined.

• Journal of Integrative Natural Science
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• v.6 no.1
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• pp.34-38
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• 2013

Tributyltin hydride ($n-Bu_3SnH$), an endocrine disruptor, was slowly polymerized by the group 4 ${Cp^{\prime}}_2TiCl_2/N$-selectride (Cp' = $C_5H_5$, Cp; $Me-C_5H_4$, Me-Cp; $Me_5C_5$, $Cp^*$) catalyst combination to give two phases of products: one is an insoluble cross-linked solid, polystannane in 3-25% yield as minor product via disproportionation/dehydrocoupling combination process, and the other is an oil, hexabutyldistannane in 65-90% yield as major product via simple dehydrocoupling process. Disproportionation/dehydrocoupling process first produced a low-molecular-weight oligostannane possessing partial backbone Sn-H bonds which then underwent an extensive cross-linking reaction of backbone Sn-H bonds, resulting in the formation of an insoluble polystannane. The disproportionation/dehydrocoupling of a tertiary hydrostannane mediated by early transition metallocene/inorganic hydride is quite unusual and applicable.

• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.223-223
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• 2006

A Suzuki-coupling route is developed for preparation of ortho-phenylene-bridged Cp/amido complexes, one of which shows higher activity, higher 1-hexene incorporation, and higher molecular weight than the silylene-bridged standard CGC $[Me_{2}Si({\eta}^{5}-Me_{4}Cp)(N^{t}Bu)]TiCl_{2}$.

• Journal of the Korean institute of surface engineering
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• v.39 no.4
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• pp.190-197
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• 2006

The effects of blasting and acidic treatment on the corrosion characteristics of dental implant fabricated with Cp-Ti and Ti-6Al-4V alloy have been researched by using electrochemical methods. The fabricated implants were cleaned and sandblasted by $Al_2O_3$ powder and then acidic treatment was carried out in nitric acid solution. The surface morphology were observed using scanning electron microscope. The corrosion behaviors were investigated using potentiosat and EIS in 0.9% NaCl solution at $36.5{\pm}1^{\circ}C$. The potentio-dynamic test in 0.9% NaCl indicated that the corrosion potential of blasting and acidic treated implant was lower than that of non treated implant, but current density was higher than that of non treated implant. From the cyclic potentiodynamic test results of Ti implant, the passivation current density of blasting and acidic treated implant slightly higher than that of non treated implant. From A.C. impedance test results in 0.9% NaCl solution, polarization resistance($R_p$) value of blasting and acidic treated implant was lower than that of non treated implant. In case of blasting and acidic treated implant surface, the pits were observed in valley and crest of implant surface.

• Korean Journal of Materials Research
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• v.13 no.11
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• pp.761-768
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• 2003

The corrosion resistance and cytotoxicity behavior of Ti alloys were studied as a function of Nb contents(3wt.%Nb, 20wt.%Nb, 40wt.%Nb). Ti-Nb alloys were melted by vacuum arc furnace and then rolled to 50% reduction ratio after homogenized at 105$0^{\circ}C$ for 24hrs. The corrosion resistance of Ti-Nb alloys were investigated by potentiodynamic polarization test in the 0.9% NaCl and 5% HCI solution. Biocompatibility of Ti-Nb alloys was evaluated by cytotoxicity test. The results can be summarized as follows 1) The microstructure change from equiaxial to acicular and the increased $\beta$ phase in Ti-Nb alloys were obtained as the Nb content increased. 2) For the corrosion test in the solution of 0.9% NaCl and 5% HCI, the corrosion behavior of Ti-Nb alloys was similar to ASTM grade 2 CP Ti. 3) For the cytotoxicity test, Ti-Nb alloys showed excellent biocompatibility compared to ASTM grade 2 CP Ti, 316L STS and Co-Cr alloys.

• Bulletin of the Korean Chemical Society
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• v.31 no.10
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• pp.2757-2758
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• 2010