• Bulletin of the Korean Chemical Society
• /
• v.28 no.9
• /
• pp.1539-1544
• /
• 2007

1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single crystal diffraction. Density functional calculations show that B3LYP/6-311G** method can reproduce the structural parameters. The electronic absorption spectra have been predicted based on the optimized structure by using 6-311G** and 6-311++G** basis sets and compared with the experimental values. The results indicate that TD-DFT method can only predict the electronic absorption spectra of the system studied here approximately. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between ,C0p,m,S0m,H0m and temperature.

• Journal of the Korean Crystal Growth and Crystal Technology
• /
• v.28 no.1
• /
• pp.44-50
• /
• 2018

The improved high-performance Fe-based perovskite-type oxides ($La_{0.7}Sr_{0.3}M_xFe_{1-x}O_3$, M = Cu, Cr, Ni) were synthesized by a citrate method and characterized by SEM, EDS, XRD and NMR spectroscopy analyses. The characterization analyses revealed that the stoichiometric amounts of lattice oxygen were existed in all of perovskite samples except for a nickel-doped perovskite. Fe-based perovskites exhibited a surprising result for ortho-para $H_2$ spin conversion reaction, indicating two orders of magnitude higher conversions and conversion rates than commercial $Fe_2O_3$. It was considered that this conversion difference might be attributed to the presence of oxygen vacancies in Fe-based perovskites prepared in this study.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2015.08a
• /
• pp.179.1-179.1
• /
• 2015

Thickness-dependent electrical, structural, and optical properties of zinc oxide (ZnO) thin films on polyethylene terephthalate (PET) substrates were investigated in the very thin thickness range of 20 to 120 nm. A very unusual transition phenomenon, in which electrical resistance increases with an increase in film thickness, was observed. From structural and compositional analyses, this transition behavior was explained to arise from metallic Zn agglomerates dispersed in non-crystalline Zn-O matrix. It was unveiled that film thickness more than 80 nm is required for the development of hexagonal crystal structure of ZnO. ZnO films on PET substrates exhibited high optical transmittance and good mechanical flexibility in the thickness range. The results of this study would provide a valuable guideline for the design of ZnO thin films on organic substrates for practical applications.

• Bulletin of the Korean Chemical Society
• /
• v.18 no.3
• /
• pp.311-316
• /
• 1997

The synthesis and characterization of the mononuclear group 13 heterocyclic carboxaldehyde methyldithiocarbazate complexes Me2M[NC5H4CRNNC(S)SCH3] (M=Al, R=H(1); M=Ga, R=H(2); M=Al, R=CH3(3); M-Ga, R=CH3(4); M=In, R=CH3(5)) are described. Compounds 1-5 were prepared by the reaction of MMe3 (M=Al, Ga, In) with 2-formy or 2-acetylpyridine-S-methyldithiocarbazate in toluene. These compounds 1-5 have been characterized by microanalysis, NMR (1H, 13C) spectroscopy, mass spectra, and single-crystal X-ray diffraction. X-ray single-crystal diffraction analyses reveal that 4-5 are mononuclear metal compounds with coordination number of 5 and N,N,S coordination mode.

• Journal of the Korean Chemical Society
• /
• v.55 no.3
• /
• pp.341-345
• /
• 2011

The Schiff base cobalt(II) complex, bis[4-chloro-2-((E)-(isopropylimino) methyl) phenol]cobalt(II), has been prepared and characterized by single-crystal X-ray diffraction analyses. The phenomenological, kinetic and mechanistic aspects of the cobalt (II) complex have been studied by TG/DTG techniques. On the basis of the experimental data, the kinetic parameters such as activation energy, pre-exponential factor and entropy of activation were computed, and then the most probable mechanism function was estimated as $g({\alpha})={\alpha}^2$ 2. Hence the rate controlling process at all stages of decomposition is onedimensional diffusion (Parabolic model).

• Bulletin of the Korean Chemical Society
• /
• v.27 no.11
• /
• pp.1809-1814
• /
• 2006

The L-Valinate anion coordinating zinc complex, [$Zn(val)_2(H-2O)$], was isolated and structurally characterized by single crystal X-ray crystallography. The crystal possess orthorhombic symmetry with a space group $P2_12_12_1$, Z = 4, and a = 7.4279(2)$\AA$, b = 9.4342(2)$\AA$, c =20.5862(7)$\AA$ respectively. The compound features a penta-coordinate zinc ion in which the two valine anion molecules are directly coordinating the central zinc metal ion via their N (amine) and O (carboxylate) atoms, and an additional coordination to zinc is made by water molecule (solvent) to form a distorted square pyramidal structure. In addition, further synthesis of the valine capped ZnS:Mn nanocrystal from the reaction of [$Zn(val)_2(H-2O)$] precursor with $Na_2S$ and 1.95 weight % of $Mn^{2+}$ dopant is described. Obtained valine capped nanocrystal was water dispersible and was optically characterized by UV-vis and solution PL spectroscopy. The solution PL spectrum for the valine capped ZnS:Mn nanocrystal showed an excitation peak at 280 nm and a very narrow emission peak at 558 nm respectively. The measured and calculated PL efficiency of the nanocrystal in water was 15.8%. The obtained powders were characterized by XRD, HR-TEM, and EDXS analyses. The particle size of the nanocrystal was also measured via a TEM image. The measured average particle size was 3.3 nm.

• The Journal of the Acoustical Society of Korea
• /
• v.32 no.5
• /
• pp.393-401
• /
• 2013

In this paper, a $48{\times}64$ channel 2D array ultrasonic transducer with piezoelectric single crystals was designed, fabricated, and evaluated. Structure of the transducer was chosen to facilitate the electric connection on the planar array, and then components were fabricated in accordance with the structure. Detailed structure of the transducer was designed through finite element analyses. In order to improve the performance of the transducer, the crosstalk between adjacent elements was reduced through the control of kerf width and material, and the target frequency bandwidth was achieved through optimal design of the thickness of the single crystal and matching layers. After fabricating a prototype of the transducer according to the design and measuring its characteristics, the results were compared with those of finite element analyses to evaluate the performance of the developed transducer.

• Bulletin of the Korean Chemical Society
• /
• v.29 no.4
• /
• pp.817-821
• /
• 2008

We have investigated the influence of the crystal structure on the chemical bonding nature and photocatalytic activity of cubic and hexagonal perovskite A[$Cr_{1/2}Ta_{1/2}$]O3 (A = Sr, Ba) compounds. According to neutron diffraction and field emission-scanning electron microscopy, the crystal structure and particle size of these compounds are strongly dependent on the nature of A-site cations. Also, it was found that the face-shared octahedra in the hexagonal phase are exclusively occupied by chromium ions, suggesting the presence of metallic (Cr-Cr) bonds. X-ray absorption and diffuse UV-vis spectroscopic analyses clearly demonstrated that, in comparison with cubic Sr[$Cr_{1/2}Ta_{1/2}$]$O_3$ phase, hexagonal Ba[$Cr_{1/2}Ta_{1/2}$]$O_3$ phase shows a decrease of Cr oxidation state as well as remarkable changes in interband Cr d-d transitions, which can be interpreted as a result of metallic (Cr-Cr) interactions. According to the test of photocatalytic activity, the present semiconducting materials have a distinct activity against the photodegradation of 4-chlorophenol. Also the Srbased compound was found to show a higher photocatalytic activity than the Ba-based one, which is attributable to its smaller particle size and its stronger absorption in visible light region.

• Journal of the Korean Crystal Growth and Crystal Technology
• /
• v.9 no.3
• /
• pp.273-279
• /
• 1999

The home-made hot wall epitaxy (HWE) system was utilized for GaN epitaxial layer growth on the Si(001) substrate. It was appeared that GaN epilayer grow with mixed phase of Zinc blende and Wurtzite structure from photoluminescence (PL) and x-ray diffraction (XRD) analysis at the room temperature. We found that intial growth layer has Wurtzite structure from photoluminescence (PL) and x-ray diffractio (XRD) analyses at the room temperature. Wefound that initial growth layer has Wurtzite structure when initial deposition time, the temperature of substrate and source are 4 min, $720^{\circ}C$ and $860^{\circ}C$ respectively, and at the epi growth process GaN, epilayer was grown with relatively stable Wurtzite structure when the temperature of substrate and source are $1020^{\circ}C$ and $910^{\circ}C$ respectively.

• Journal of the Korean Crystal Growth and Crystal Technology
• /
• v.30 no.5
• /
• pp.163-167
• /
• 2020

Ring-shaped SiC (Silicon carbide) polycrystals used as an inner material in semiconductor etching equipment was manufactured using the PVT (Physical Vapor Transport) method. A graphite cylinder structure was placed inside the graphite crucible to grow a ring-shaped SiC polycrystal by the PVT method. The crystal polytype of grown crystal were analyzed using a Raman and an UVF (Ultra Violet Fluorescence) analysis. And the microstructure and components of SiC crystal were identified by a SEM (Scanning Electron Microscope) and EDS (Energy Disruptive Spectroscopy) analyses. The grain size and growth rate of SiC polycrystals fabricated by this method was varied with temperature variation in the initial stage of growth process.