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

• Journal of the Korean Crystal Growth and Crystal Technology
• /
• v.14 no.6
• /
• pp.262-266
• /
• 2004

Rutile single crystals were grown by the skull melting method. Ti metal ring was used for initial RF induction heating. The grown crystals were cut into wafer of 5.5 mm diameter and 1mm thickness. The wafers were annealed in air at $1300^{\circ}C$ up to 15 hours and their transmittance spectra $(\lambda= 200~25000 nm)$ were obtained.

• Bulletin of the Korean Chemical Society
• /
• v.20 no.11
• /
• pp.1269-1276
• /
• 1999

Metallocenes, whether using a cocatalyst or not, act as catalysts in ethylene polymerization. The positive charge on the transition metal of a metallocene might have an important role in polymerization as an active site in our model approach. Using semiempirical calculations in the absence of cocatalyst, we show one of the possibilities that the positive charge on a metallocene might be more easily transferred through the Cp ring of a ligand to the ethylene than to transfer directly from the transition metal to the ethylene. In these calculations, the charge on titanium in an eight C2H4 system is transferred and a polymer chain is produced. This reaction takes place only when ethylenes are arranged in a particular direction with respect to the ring, but does not take place for ethylenes near Ti or Cl atoms. The same mechanism is shown for a metallocene ligand which is sterically hindered or where the Cp ring is replaced by fluorenyl. These results suggest an entirely new polymerization mechanism in the absence of a cocatalyst in which the Cp ring is the active site.

• Bulletin of the Korean Chemical Society
• /
• v.31 no.1
• /
• pp.116-119
• /
• 2010

Adsorption structures of the self-assembled thin films of $\alpha$-cyano-4-hydroxycinnamic acid (CHCA) anchoring on $TiO_2$ surfaces have been studied by using temperature-dependent diffuse reflectance infrared Fourier-transform (DRIFT) spectroscopy. From the presence of the strong $\nu(COO^-)$ band at ~1390 $cm^{-1}$ along with the disappearance of the OH bands in the carboxylic acid group in the DRIFT spectra at room temperature, CHCA appeared to adsorb onto $TiO_2$ surfaces as a carboxylate form. The absence of the out-of-plane benzene ring modes of CHCA in the DRIFT spectra suggests a rather vertical orientation of CHCA on $TiO_2$. Above ~220$ ^{\circ}C$, CHCA seemed to start to thermally degrade on $TiO_2$ surfaces referring from the disappearance of most vibrational modes in the DRIFT spectra, whereas the $\nu$(C ≡ N) bands were found to remain relatively conspicuous as the temperature increased even up to ~460$^{\circ}C$.

• The Journal of Korean Academy of Prosthodontics
• /
• v.38 no.2
• /
• pp.214-225
• /
• 2000

The purpose of this study was to investigate the effects of investing conditions on the marginal discrepancy of conical telescope outer crown with Co-Cr-Ti alloy(Dentitan) and to compare the marginal discrepancy and the retention force of outer crowns using different pattern materials(plastic foil, casting wax, pattern resin). To evaluate the effects of investing conditions on the marginal discrepancy, patterns with plastic foil were invested under three different liquid/powder ratio conditions using phosphate bonded investment(Univest-nonprecious): standard, 10% decreased and 10% increased. At each liquid/powder ratio condition, metal ring was lined with single or double layers of ceramic ring liner. The marginal discrepancy of outer crown at different investing conditions was measured by ${\times}100$ compact measuring microscope(STM5, Olympus, Japan). For measurement of the marginal discrepancy and the retention force of outer crown using different pattern materials, the investing condition of 10% decreased liquid/powder ratio and double layers of ring liner was selected because this investing condition resulted in the best fit of outer crown. Marginal discrepancy was measured in the same way above and retention force on universal testing machine. Under the conditions of this study, the following conclusions were drawn: 1. The thickness of ring liner had more influence on the marginal discrepancy of outer crown than the liquid/powder ratio, and the acceptable marginal fitness could not be expected at the investing condition directed by investment manufacturer 2. There were no differences in the marginal discrepancy of outer crown among three different pattern materials(P>0.05). 3. Casting wax showed the greatest retention force(1640g) of outer crown, followed by pattern resin(1110g), plastic foil(820g). However, there was no significant difference between plastic foil and pattern resin(P>0.05). 4. Plastic foil showed the least variation in marginal discrepancy and retention force.

• Journal of the Korean Crystal Growth and Crystal Technology
• /
• v.15 no.5
• /
• pp.175-181
• /
• 2005

Ingots of rutile single crystals were grown by the skull melting method, and their characteristics were compared in terms of melt-dwelling time for each melt. The method is based on direct inductive heating of an electrically conducted melt by an alternating RF field, and the heating is performed by absorption of RF energy. $TiO_2$ is an insulator at room temperature but its electric conductivity increases elevated temperature. Therefore, titanium metal ring(outside diameter : 6cm, inside diameter : 4cm, thickness 0.2cm) was embedded into $TiO_2$, powder (anatase phase, CERAC, 3N) for initial RF induction heating. Important factors of the skull melting method are electric resistivity of materials at their melting point, working frequency of RF generator and cold crucible size. In this study, electric resitivity of $TiO_2$, $(10^{-2}\~10^{-1}\;{\Omega}{\cdot}m)$ at its melting point was estimated by compairing the electric resitivities of alumina and zirconia. Inner diameter and height of the cold crucible was 11 and 14cm, respectively, which were determined by considering of the Penetration depth $(0.36\~1.13cm)$ and the frequency of RF generator.

• Proceedings of the KIEE Conference
• /
• 1998.07d
• /
• pp.1546-1548
• /
• 1998

Dual mode ring resonators(DMRR) have been fabricated using laser ablated $YBa_2Cu_3O_{7-x}$ superconducting thin films. The transition temperature of YBCO thin films were 85 - 88 K and the film thicknesses were about 5,000 $\AA$. Dual mode ring resonators were patterned by standard photolithography process and wet-etching. Then two-layer metal thin films (Ti/Ag) have been deposited for the ground plane on the back side of substrate by e-beam and thermal evaporation. The input/output feedline angles of each resonator were $60^{\circ}$, $100^{\circ}$, $180^{\circ}$. A network analyzer was used for testing the performance of the resonators in the frequency range of 6-13 GHz at 77 K.

• Journal of Advanced Marine Engineering and Technology
• /
• v.32 no.8
• /
• pp.1178-1184
• /
• 2008

In this study, techniques of ion implantation were used in order to improve the characteristics of metal materials such as the oxidation and wear resistant. In particular it is necessary to develope their oxidation and wear resistant that could be used in severe environmental conditions. There are mainly two elementary technologies including ion implantation and/or thin film coating. Ion implantation method was performed for surface modification. As a result, it was found that some ion implantations methods such as Nb, high-temperature Nb ion implantation and Nb+C combined implantation are somewhat effective for improving the oxidation resistance of TiAl alloy. Furthermore, the fluorine PBII treatment is more effective for improving the oxidation resistance of the TiAl alloy with three-dimensional shapes. The implantation of boron ion into thin film of TiN was also effective for improving the properties of materials like high temperature wear resistance. TiCrN film was applied to the actual seal ring for steam turbines, and it was observed that its sliding property showed a successfully good performance.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
• /
• v.25 no.5
• /
• pp.361-365
• /
• 2012

A bolt-clamped ultrasonic viscometer was designed and fabricated using a pair of ring-shaped piezoelectric ceramic resonators. For its compactness and low operation frequencies, simulation of piezoelectric resonators was carried out using an ATILA program. Ring-shaped resonators using $0.05Pb(Mn_{1/3}Sb_{2/3})O_3-0.95Pb(Zr_{0.475}Ti_{0.525})O_3$ ceramics were prepared by a conventional ceramic processing, which were then clamped with a pair of metal caps. The fabricated sensor module with a small volume of less than 1 $cm^3$ and an operation frequency as low as 26.5 kHz showed a good relationship between its quality factor and the viscosity of oil.

• Journal of the Korean Chemical Society
• /
• v.19 no.2
• /
• pp.92-97
• /
• 1975

The molecular and electronic structures of $TiCl(OC_6H_5)_3{\cdot}C_6H_5OH\;and\;Ti(OC_6H_5)_4{\cdot}C_6H_5OH$ have been studied by employing cryoscopic and electronic spectroscopic methods. The cryoscopic data have shown that the dimeric tetraphenoxytitanium(Ⅳ) phenolate in solid undergoes complete dissociation into monomer in solution and also the chlorocomplex starts dissociation around the concentration of 8 m mole/l. Therefore, these two Ti-complexes are pentacoordinated in dilute solution and the local symmetry of the titanium ion in these complexes seems to be trigonalbipyramid. The electronic spectra of $TiCl(OC_6H_5)_3{\cdot}C_6H_5OH$ and $Ti(OC_6H_5)_4{\cdot}C_6H_5OH$ each show two band, systems, one vibration-structural band characteristic of the aromatic ring in the near UV and another visible band at 26.8 kK, 29.6 kK, respectively, which are assigned as a ligand to metal charge transfer band corresponding to $^1A_1''{\to}^1E'\;or\;^1E''$ transition.