• Bulletin of the Korean Chemical Society
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• v.27 no.9
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• pp.1297-1304
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• 2006

A systematic study of the structure, energetics and spectral characteristics of substituted aminoketenes $R(NH_2)$C=C=O (R = H, $CH_3$, $NH_2$, OH, $OCH_3$, CH=$CH_2$, C$\equiv$CH, CN, CHO, NO, $NO_2$) which are highly reactive and transient intermediates in synthesis has been conducted by ab initio calculations at the MP2/6- 31G*//MP2/6-31G* level. Twenty four stable isomers of the eleven substituted aminoketenes having dihedral angles $\phi NH_2\sim120{^{\circ}}$ and $60^{\circ}$ have been identified and their optimized geometries and energies obtained. Electrostatic and steric effects on the molecular geometries have been analyzed. While the $\pi$-acceptor groups lead to planar conformations, the electron-donor groups give rise to non-planar conformations. Isodesmic substituent stabilization energies relative to alkenes have been calculated and correlation with group electronegativities established. Role of induction effect by the substituent groups and resonance effects in charge distribution in the molecules has been analyzed. An analysis of the asymmetric stretching frequencies and intensities of the C=C=O group shows that affect of non-$\pi$ acceptor substituents on the frequency is determined by the field effect (F) and resonance effect (R) parameters, the calculated intensities I (km/mol.) are correlated to group electronegativities $x$ of the substituents by the relationship I = 640.2–100.1 $x$ (r = 0.92). The $\pi$-acceptor substituents increase the intensity which may be explained in terms of their delocalizing effect on the negative charge at the $C_{\beta}$ atom.

• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.304.2-304.2
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• 2016

Hafnium oxide-aluminum oxide (HfO2-Al2O3) dielectric films have been fabricated by Pulsed Laser Deposition (PLD), and their properties are studied in comparison with HfO2 films. As a gate dielectric of the TFT, in spite of its high dielectric constant, HfO2 has a small energy band gap and microcrystalline structure with rough surface characteristics. When fabricated by the device, it has the drawback of generating a high leakage current. In this study, the HfAlO films was obtained by Pulsed Laser Deposition with HfO2-Al2O3 target(chemical composition of (HfO2)86wt%(Al2O3)14wt%). The characteristics of the thin Film have been investigated by x-ray diffraction (XRD), atomic force microscopy (AFM) and spectroscopic ellipsometer (SE) analyses. The X-ray diffraction studies confirmed that the HfAlO has amorphous structure. The RMS value can be compared to the surface roughness via AFM analysis, it showed HfAlO thin Film has more lower properties than HfO2. The energy band gap (Eg) deduced by spectroscopic ellipsometer was increased. HfAlO films was expected to improved the interface quality between channel and gate insulator. Apply to an oxide thin Film Transistors, HfAlO may help improve the properties of device.

• Korean Journal of Environmental Agriculture
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• v.18 no.4
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• pp.378-383
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• 1999

Changes of the spectroscopic characteristics of the organic matter fractions and circular filter paper chromatograph were assessed for the bark and piggery manure composts during the composting. as an approach to base the criteria of the compost maturity evaluation. Contents of humic acid-C (HA-C) and fulvic acid-C (FA-C) in both bark and piggery manure composts were decreased as the composting got closer to maturity, but the ratios of HA-C/FA-C were increased. During the composting. ${\Delta}log$ K values were decreased, but RF values were increased. Humic acid of the mature bark compost after 120 days of composting was A-type, as compared to Rp-type for the raw bark and B-type for the immature compost. However. humic acid of the mature piggery manure composts after 40 days of composting was B-type, indicating the humification of the organic matter fractions continued at this stage. Circular filter paper chromatograph of the mature bark compost exhibited the regular sawteeth pattern at the edge, but that of the mature piggery manure showed an irregular sawteeth pattern. Results demonstrated that spectroscopic characteristics and circular filter paper chromatograph of the organic by-product composts might be employed for the compost stability assessment.

• Journal of Korean Society on Water Environment
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• v.25 no.4
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• pp.589-596
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• 2009

The spectroscopic characteristics and chemical oxygen demand (COD) oxidation efficiencies were investigated for dissolved organic matters (DOM) from diverse sources, which may indirectly affect the concentrations and the quality of DOM found in watersheds. The DOM investigated for this study showed a wide range of the percent distributions of refractory organic matter (R-OM) from 8 to 100%. Relatively high R-OM distributions were observed for the DOM with the source of head water, sediments, paddy soils, field soils, and treated sewage whereas the DOM from livestock waste, reed, weeds, algae, and attached algae exhibited lower R-OM percent distributions. The percent distribution of R-OM had positive correlations with specific UV absorbance (SUVA) and humidification indices (HIX) of DOM. The investigated DOM was classified into four different source groups (i.e., biota, vegetables, soils, sediments) by comparing the synchronous fluorescence spectra. The DOM group from biota source was characterized by a prominent presence of protein-like fluorescence (PLF) whereas fulvic-like fluorescence (FLF) was additionally observed for vegetable-source DOM. FLF became significant for the DOM from both soils and sediments although no PLF was found for soil-derived DOM. A range of COD oxidation efficiency was observed for the various DOM, ranging from 36 to 94% and from 65 to 125% for $COD_{Mn}$ and $COD_{Cr}$, respectively. The results indicate that $COD_{Cr}$ reflects the higher OM concentration than $COD_{Mn}$. However, 95% confidence intervals of the COD oxidation efficiencies were similar for the two types of COD, suggesting that $COD_{Cr}$ may not be the superior OM index to $COD_{Mn}$ in terms of the variability of the oxidation efficiency. No significant correlations were obtained between COD oxidation efficiencies and the spectroscopic characteristics of DOM for this study.

• Journal of the Mineralogical Society of Korea
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• v.21 no.4
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• pp.355-364
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• 2008

Emerald deposit located on Itabira, Brazil is one of the major one in the world. We applied three different analytical approaches on Itabira emerald samples, (1) perpendicular to the c-axis, (2) parallel to the c-axis, (3) emerald pallet mixed with KBr, using Fourier Transform Infrared (FTIR) spectroscopy, to understand and compare spectroscopic characteristics of three Itabira emerald samples. Occurrence of $5,271\;cm^{-l}$ and $1,638\;cm^{-l}$ absorption peaks within $H_2O$-related range indicates that the samples belong to Type-II emerald. These emerald samples also display strong absorption peak generated from Type-IIa emerald preserving $H_2O-Na-H_2O$ sequence. $CO_2$- and Cl-related absorption peaks observed within specific range except for $H_2O$-related range. These observations and results suggest that FTIR analysis can be used for not on1y classification of emerald types, but also prediction of $Na_2O$ content within the emerald through comparison of relative peak intensity.

• Bulletin of the Korean Chemical Society
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• v.24 no.8
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• pp.1075-1080
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• 2003

We have investigated femtosecond coherent vibrational motions of Zn(II)-5,15-diphenylporphyrin in toluene using chirp-controlled ultrashort pulses. The oscillatory features superimposed on the temporal profiles of the pump-probe transient absorption signal are affected by the chirping and energy of excitation pulses. Using chirp- and excitation energy-controlled femtosecond pulses, we are able to obtain information on the structural changes between the electronic ground and excited states based on a comparative analysis of the Fouriertransformed frequency-domain spectra retrieved from the oscillatory components with the ground state resonance Raman spectra and normal mode calculations.

• Proceedings of the Korea Committee for Ocean Resources and Engineering Conference
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• 2001.10a
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• pp.292-300
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• 2001

The paper describes spectroscopic characteristics of plasma induces in the pulsed YAG laser welding of alloys containing a large amount of volatile elements. The authors have conducted the spectroscopic analyses of laser induced Al-Mg alloys plasma in the air and argon atmosphere. In the air environment, the identified spectra were atomic lines of Al, Mg, Cr, Mn, Cu, Fe and Zn, and singly ionized Mg lines, as well as the intense molecular spectra of A10 and Mg0 formed by chemical reactions of evaporated Al and Mg atoms from the pool surface with oxygen in the air. In argon atmosphere, Mg0 and AI0 spectra vanished, but AIH spectrum was detected. The hydrogen source was presumably hydrogen dissolved in the base metals, water absorbed on the surface oxide layer, or $H_2$ and $H_2O$ in the shielding gas. The resonant 1ines of Al and Mg were strongly self-absorbed, in particular, self-absorption of the Mg 1ine was predominant. These results show that the laser induced plasma was made of metal1ic vapor with relatively low temperature and high density.

• Journal of Astronomy and Space Sciences
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• v.35 no.1
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• pp.7-18
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• 2018

We have investigated the intensities and full width at half maximum (FWHM) of the high dispersion spectroscopic N III emission lines of AG Peg, observed with the Hamilton Echelle Spectrograph (HES) in three different epochs at Mt. Hamilton's Lick Observatory. The earlier theoretical Bowen line study assumed the continuum fluorescence effect, presenting a large discrepancy with the present data. Hence, we analyzed the observed N III lines assuming line fluorescence as the only suitable source: (1) The O III and N III resonance line profiles near ${\lambda}$ 374 were decomposed, using the Gaussian function, and the contributions from various O III line components were determined. (2) Based on the theoretical resonant N III intensities, the expected N III Bowen intensities were obtained to fit the observed values. Our study shows that the incoming line photon number ratio must be considered to balance at each N III Bowen line level in the ultraviolet radiation according to the observed lines in the optical zone. We also found that the average FWHM of the N III Bowen lines was about $5km{\cdot}s^{-1}$ greater than that of the O III Bowen lines, perhaps due to the inherently different kinematic characteristics of their emission zones.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.25 no.5
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• pp.188-192
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• 2015

Gemological and spectroscopic properties of HPHT synthetic diamonds from New Diamond Technology (NDT) company in St. Petersburg (Russia) were examined. Their color (colorless, near-colorless with some boron and Fancy blue with high boron content) and clarity ($VVS-SI_1$) grades were comparable to those of top natural diamonds. NDT synthetic diamonds fluoresced and phosphoresced blue or orange under SWUV light. Photoluminescence spectra revealed H3 center with very small intensity and NV centers. The intensity of H3 in NDT synthetic diamond has very weak in comparison with natural one. Using a combination of gemological and spectroscopic tests, gem-quality synthetic diamonds from NDT can be distinguished from natural diamonds of similar quality.

• Bulletin of the Korean Chemical Society
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• v.24 no.5
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• pp.579-582
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• 2003

Norfloxacin, that inhibits the action of topoisomerase Ⅱ, binds to wide variety of DNA. The binding mode of this drug to double- and super-coiled DNA (ds- and scDNA) is compared in this study by various spectroscopic methods, including absorption, fluorescence, and circular dichroism(CD) spectroscopy. Hypochromism in the absorption band, negative and positive induced CD bands (respectively in 240-260 nm and 270-300 nm region) are apparent for the norfloxacin that bound to both the dsDNA and scDNA. A decrease in fluorescence is also noticed in the presence of both DNAs. Since the spectroscopic characteristics are the same for both complexes, it is imperative that the binding mode of the norfloxacin is similar in ds- and scDNA. In the presence of $Mg^{2+}$, which is a cofactor in the topoisomerase Ⅱ action, the fluorescence intensity of the scDNA-norfloxacin complex increased and the resulting fluorescence intensity and shape was identical to that in the absence of scDNA. Therefore, the addition of an excess amount of $Mg^{2+}$ may result in the extrusion of norfloxacin from scDNA.