• Title/Summary/Keyword: Electronic transition

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Spectroscopic Investigation of cis-2,4-Difluorophenol Cation by Mass-analyzed Threshold Ionization Spectroscopy

  • Shivatare, Vidya;Tzeng, Wen Bih
    • Bulletin of the Korean Chemical Society
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    • v.35 no.3
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    • pp.815-820
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    • 2014
  • We applied the two-color resonant two-photon ionization and mass-analyzed threshold ionization techniques to record the vibronic and cation spectra of 2,4-difluorophenol. As supported by our theoretical calculations, only the cis form of 2,4-difluorophenol involves in the two-photon photoexcitation and pulsed field ionization processes. The band origin of the $S_1{\leftarrow}S_0$ electronic transition of cis-2,4-difluorophenol appears at 35 647 ${\pm}2cm^{-1}$ and the adiabatic ionization energy is determined to be 70 $030{\pm}5cm^{-1}$, respectively. Most of the observed active vibrations in the electronically excited $S_1$ and cationic ground $D_0$ states mainly involve in-plane ring deformation vibrations. Comparing these data of cis-2,4-difluorophenol with those of phenol, cis-2-fluorophenol, and 4-fluorophenol, we found that there is an additivity rule associated with the energy shift resulting from the additional fluorine substitution.

Hydrogen Absorption and Electronic Property Change of Yttrium Thin Films

  • Cho, Young-Sin
    • Transactions of the Korean hydrogen and new energy society
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    • v.7 no.1
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    • pp.71-79
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    • 1996
  • Yttrium thin film, 580nm thick, was prepared by electron beam evaporation. Film was hydrogenated room temperature upto 40 bar hydrogen pressure, without any activation process. Hydrogen concentration was determined by a quartz-crystal microbalance(QCM) method. YH2.9 sample was made without any pulverization. Electrical resistance was measured by four-point DC method in the temperature range between room temperature and 30K for various hydrogen concentration, x=0 to 2.9 of YHx sample. Temperature dependent resistance of YH2.9 shows low temperature minimum at 105K, the metal-semiconductor transition at 260K, and a hystersis above 210K.

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Effects of Transition Metal Oxides on Mechanical Properties of Y-TZP

  • Jae Sung Park;Young Soo Chung;Hyo-Duk Nam
    • The Korean Journal of Ceramics
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    • v.5 no.4
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    • pp.331-335
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    • 1999
  • Mechanical propeties of $Y_2O_3$-containing tetragonal $ZrO_2$ polycrystals(Y-TZP) were investigated. Several additives were used to modify the hardness fracture toughness of Y-TZP. The effects of these individual additives were discussed and their interactions were also analyzed. Each additive, such as CoO, $Fe2O3, MnO_2$ was found to deteriorate the mechanical propeties of Y-TZP when it was used singly. But the fracture toughness of Y-TZP was singnificantly improved when these additives and $Al_2O_3$ were added in combination at a certain ratio.

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Electronic Structure of Flavins. Inclusion of Methyl Groups in Molecular Orbital Treatments of Flavins

  • Pill-Soon Song
    • Journal of the Korean Chemical Society
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    • v.16 no.3
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    • pp.119-134
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    • 1972
  • Various MO methods with differing degrees of sophistication are shown to yield qualitatively consistent results for methyl isoalloxazins. However, with crude methods such as the HMO and ${\omega}$-technique, the choice of Coulomb and resonance integralsis critical, in contrast with simpler molecular systems. The empirical value of ${\omega}$=0.5 appears to be more reasonable than 1.4. Methyl groups in these flaving are best treated by the group orbital approximation. The pseudo-heteroatom approximation overestimates methyl hyperconfiguration with the Pariser-Parrpole SCR MO method. siglet ${\pi}{\rightarrow}{\pi}^*$ transition energies are calculated by the P-P-P method and agree reasonably with the experimental values. 2- and 4-Thioisoalloxazine analogs are also treated. Reactivity indices of the flavin molecule are presented, includeing superdelocalizability. frontier orbital and radical densities. Various aspects of the applications of these indices of the methyl groups on dipolemoments, inozation potentialsm elctron affinities, and spectra are decribed in detail.

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MO Studies on Nucleophilic Substitution Reaction (친핵성 치환반응에 대한 분자궤도론적 연구)

  • Bon Su Lee;Lee, Ik Choon;Ki Yull Yang
    • Journal of the Korean Chemical Society
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    • v.25 no.3
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    • pp.145-151
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    • 1981
  • The intrinsic reactivity of $S_N2$reaction in the gas phase was discussed MO theoretically (CNDO/2). We investigated the changes in geometry and electronic structure by means of the partial geometry optimization for reactantes, transition states, and products with various nucleophiles and leaving groups. We found that it was possible to discuss qualitatively the reactivity of $S_N2$ reaction with CNDO/2 MO calculation and the reactivity was controlled by basicity and of induced polarizability.

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Rearrangement of Benzyl-type Radical in Corona Discharge of 2,6-Dichlorotoluene

  • Yoon, Young-Wook;Lee, Seung-Woon;Lee, Sang-Kuk
    • Bulletin of the Korean Chemical Society
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    • v.31 no.9
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    • pp.2479-2482
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    • 2010
  • Using a pinhole-type glass nozzle equipped for a corona-excited supersonic expansion (CESE), precursor 2,6-dichlorotoluene seeded in a large amount of inert carrier gas helium was discharged to produce jet-cooled but electronically excited benzyl-type radicals. The visible vibronic emission spectrum was recorded with a long-path monochromator to observe vibronic bands in the $D_1{\rightarrow}D_0$ electronic transition of benzyl-type radicals. The spectral analysis revealed the generation of not only the 2,6-dichlorobenzyl radical as a typical product, but also the o-chlorobenzyl radical as an unexpected species, which indicates the possible molecular rearrangement in eliminating a chlorine atom from the benzene ring. A possible mechanism is proposed for the formation of the o-chlorobenzyl radical from the precurs or in the gas phase.

Fabrication of low power NO micro gas senor by using CMOS compatible process (CMOS공정 기반의 저전력 NO 마이크로가스센서의 제작)

  • Shin, Han-Jae;Song, Kap-Duk;Lee, Hong-Jin;Hong, Young-Ho;Lee, Duk-Dong
    • Journal of Sensor Science and Technology
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    • v.17 no.1
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    • pp.35-40
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    • 2008
  • Low power bridge type micro gas sensors were fabricated by micro machining technology with TMAH (Tetra Methyl Ammonium Hydroxide) solution. The sensing devices with different heater materials such as metal and poly-silicon were obtained using CMOS (Complementary Metal Oxide Semiconductor) compatible process. The tellurium films as a sensing layer were deposited on the micro machined substrate using shadow silicon mask. The low power micro gas sensors showed high sensitivity to NO with high speed. The pure tellurium film used micro gas sensor showed good sensitivity than transition metal (Pt, Ti) used tellurium film.

Estimation of Excited State Dipole Moment of Exalite Dyes by Solvatochromic Shift Studies

  • Inamdar, S. R.;Nadaf, Y.F.;Deshpande, D.K.;Karguppikar, A.M.
    • Journal of Photoscience
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    • v.9 no.1
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    • pp.29-32
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    • 2002
  • The solvent effect in a series of polar and non-polar solvents of varying dielectric constants and refractive indices has been investigated by studying electronic spectra (S$_1$band) of a series of exalite laser dyes at room temperature (25$\pm$1$\^{C}$). These data are used to determine the magnitude ($\mu$$\_$e/) and direction ($\theta$) of the electric dipole moments in the first electronically excited state. The results indicate that the observed band systems in these compounds may be attributed to ←$\pi$ transition.

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Grain growth and superconducting properties of melt-processed (Y-Sm-Nd)-Ba-Cu-O composite oxides

  • Kim, So-Jung
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.15 no.4
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    • pp.141-144
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    • 2005
  • [ $(Y_{0.5}Sm_{0.25}Nd_{0.25})Ba_2Cu_3O_y$ ] [(YSN)-123] high $T_c$ composite superconductors with $CeO_2$ addition were systematically investigated by top seeded melt growth (TSMG) process in air atmosphere. A melt textured $NdBa_2Cu_3O_y$ (Nd-123) single crystal was used as a seed for achieving the c-axis alignment large grains perpendicular to the surface of (YSN)-123 composite oxides. The size of $(Y_{0.5}Sm_{0.25}Nd_{0.25})_2BaCuO_5$ [(YSN)211] nonsuperconducting inclusions of the melt textured (YSN)-123 samples with $CeO_2$ addition were remarkably reduced and uniformly distributed within the (YSN)123 superconducting matrix except in the region very close to the Nd-123 seed crystal. The sample showed a sharp superconducting transition of 91 K.

The Introduction of Electronic Trade System to Small and Medium Sized Company & The Analysis of its Economic Effect (중소기업의 전자무역 시스템 도입방안과 경제적 효과 분석 - 가치사슬분석과 시뮬레이션 분석 방법론을 중심으로 -)

  • Park, Bok-Jae
    • International Commerce and Information Review
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    • v.10 no.3
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    • pp.3-21
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    • 2008
  • This research investigates the strategy for application of E-Trade to SMEs to analyze the economic effect of e-trade. And the influence of the proliferation of e-business and e-trade upon the industrial business conditions, value-chain, and business activities is also analyzed. The subjects of the inquiry are the nationwide petrochemical industries in which small and medium sized companies are in mutual and intimate cooperation. The results show that the business structure of the petrochemical industries are divided into four stages, and, with the introduction of e-business, the value chain is changed by stages. And the change of value-chain explains the transition of the e-business of petrochemical industries including trade business into industrial DB and leads to a variety of the economic effect including the reduction in the trade expense, the change of the production process, and the innovation of trade structure.

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