• Title/Summary/Keyword: absorption spectra

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Influence of Exchange-Correlation Functional in the Calculations of Vertical Excitation Energies of Halogenated Copper Phthalocyanines using Time-Dependent Density Functional Theory (TD-DFT)

  • Lee, Sang Uck
    • Bulletin of the Korean Chemical Society
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    • v.34 no.8
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    • pp.2276-2280
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    • 2013
  • The accurate prediction of vertical excitation energies is very important for the development of new materials in the dye and pigment industry. A time-dependent density functional theory (TD-DFT) approach coupled with 22 different exchange-correlation functionals was used for the prediction of vertical excitation energies in the halogenated copper phthalocyanine molecules in order to find the most appropriate functional and to determine the accuracy of the prediction of the absorption wavelength and observed spectral shifts. Among the tested functional, B3LYP functional provides much more accurate vertical excitation energies and UV-vis spectra. Our results clearly provide a benchmark calibration of the TD-DFT method for phthalocyanine based dyes and pigments used in industry.

Spectroscopic Identification of Massive Young Stellar Objects in the Galactic Center

  • An, Deok-Keun
    • The Bulletin of The Korean Astronomical Society
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    • v.36 no.1
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    • pp.83.2-83.2
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    • 2011
  • I present results from the Spitzer/IRS study to identify massive young stellar objects (YSOs) in the Galactic Center (GC). Our sample of 107 YSO candidates was selected based on Spitzer/IRAC colors in the central 300 pc region of the Milky Way Galaxy. We obtained IRS spectra over $5{\mu}m$ to $35{\mu}m$, and identified massive YSOs by the presence of a $15.4{\mu}m$ shoulder on the absorption profile of $15{\mu}m$ $CO_2$ ice, suggestive of high $CH_3OH$ abundance on $CO_2$ ice grains. This $15.4{\mu}m$ shoulder is clearly observed in 16 sources and possibly observed in an additional 19 sources. We further show that 9 massive YSOs reveal molecular gas-phase absorption from $CO_2$, $C_2H_2$, and/or HCN, which traces warm and dense gas in YSOs. Our results provide the first spectroscopic census of the massive YSO population in the GC.

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Deposition Transfer and Response Properties of p-PDA/AA Mixed Films (p-PDA/AA 혼합막의 누적전이와 응답특성)

  • 송진원;이경섭
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2000.07a
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    • pp.511-514
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    • 2000
  • Photoreactive multilayer films were prepared using long-chin alkyl diesters of p-phenylenediacrylic acid(p-PDA). In spite of the absence of hydrophilic groups in these molecules, they formed stable monolayers on the water surface when mixed with arachidic acid. Surface showed the presence of a condecsed phase and these monolayer could be transferred onto a substrate with Y-type deposition. The UV spectra of mixed multilayer films showed of absorption peak compared with that in solution. The linear relationship between absorbanoe and the number of layers supports the successful formation of multilayer films.

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Characteristics of Surface Electrical Conduction in $C_{22}$-Quinolium(TCNQ) LB Films ($C_{22}$-Quinolium(TCNQ) LB Film의 평면 전기전도 특성)

  • 박승규;유덕수;김태완;강도열
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1992.05a
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    • pp.77-81
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    • 1992
  • $C_{22}$-Quinolium-TCNQ LB films were deposited on the glass substrates by Langmuir-Blodgett technique at room temperature. Transfer ratios and UV-visible absorption spectra were studied for X, Y and Z-Types. Absorption in Z-Type was higher than X and Y-Types, which indicates a better arrangement in this type. We have also investigated dc electrical conductivities and ac responses along the horizontal and vertical direction to the film surface. As a result, we are able to determine the capacitance of film and the measured horizontal conductivity was about $10^{-7}$~$10^{-8}$ S/cm.

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The Effect of Solvent and Doping Matter on the Electric Properties of Polyaniline Films (폴리아닐린 필름의 전기적 특성에 미치는 용매 및 도핑물질의 효과)

  • 김재욱
    • Electrical & Electronic Materials
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    • v.10 no.7
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    • pp.713-718
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    • 1997
  • Polyaniline free standing films cast from N-methyl-2-pyrrolidinone(NMP) solution, camphorsulfonic acid(HCSA), dodecylbenzensulfonic acid(HDBSA), inorganic matter(carbon black, graphite) and metal(silver) were prepared by processings. The properties of these films such as crystallinity, near-infrared absorption spectra and conductivity were investigated. The HCSA and HDBSA doped polyaniline films cast from m-cresol and chloroform solvents showed the metallic property and high crystallinity, respectively. The value of conductivity in the HCSA doped polyaniline film obtained 180 S/cm. We have obtained the value of conductivity 200 S/cm in the metal(silver) doped polyaniline film, which is higher than that of the HCSA doped polyaniline film. The metal(silver) doped polyaniline film shows good properties as a electromagnetic shielding material.

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Red Shift of the Raman (FBCARS) Excitation Profile of Iodine from the Absorption Spectrum(I)

  • Lee, Mu-Sang;Carreira, L.A.
    • Bulletin of the Korean Chemical Society
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    • v.7 no.1
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    • pp.59-62
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    • 1986
  • Folded Box coherent anti-Stokes Raman spectroscopy (FBCARS) spectra of the fundamental symmetric stretch(213 $cm^{-1}$) and the first overtone(421 $cm^{-1}$) of $I_2$ have been recorded over the pump wavelength range from 495 nm to 580 nm. The lineshapes were fitted using the least squares method and the A and C term of CARS were calculated. From the fitting of A and C terms, the real(R) and imaginary(I) term intensity of CARS were calculated using harmonic oscillator program. The calculated CARS excitation profile of $I_2$ with R and I term data was about 270 $cm^{-1}$ red shifted from the absorption spectrum.

Synthesis and Nonlinear Optical Properties of Poly(4-nitrophenylallylamine) Derivatives

  • 김영운;이광섭;진정일;최길영
    • Bulletin of the Korean Chemical Society
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    • v.17 no.7
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    • pp.607-612
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    • 1996
  • A series of new NLO-active poly(4-nitrophenylallylamine) derivatives was synthesized by the nucleophilic substitution reaction of several substituted 4-nitrohalobenzenes and poly(allylamine hydrochloride). All polymers obtained were amorphous and their glass transition temperatures (Tg) were observed around 148-160 ℃. For each of these polymers, their specific Tg values were dependent on characteristic electronic structures. UV-visible absorption spectra showed maximum absorption intensity at 355-393 nm for π-π* transition of alkylaminonitrophenyl groups. The χ(2)value of poly(4-nitrophenylallylamine), as determined by the second harmonic generation at 1064 nm, for a thin polymer film poled at an elevated temperature, was 1.4x10-8esu. The third-order NLO properties of poly(4-nitrophenylallylamine) derivatives were evaluated through measurement of degenerate four-wave mixing technique and χ(3) coefficient in the range of 2.7~3.2x10-12 esu at 602 nm was found with 400 fs laser pulses.

Interlayered colored iron compounds prepared by reactions of nanoirons with bidentate chelating ligands in laponite

  • Kim, Dong Hwan;Kim, Youhyuk
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.31 no.2
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    • pp.69-72
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    • 2021
  • The reaction of ammonium ferric sulfate with sodium borohydride in laponite sol yields nanoiron colloidal solution. This solution in air forms transparent yellow brown solution. The resulting solution reacts with bidentate chelating ligands. The reaction products are characterized by UV-Vis absorption spectroscopy and X-ray diffraction. All compounds show metal to ligand charge transfer band in the region of 400~650 nm in UV-Vis absorption spectra. This indicates the formation of iron-ligand complex by air oxidation of nanoiron. Also, XRD patterns exhibit that the iron-ligand complex is intercalated in the interlayer of laponite.

AKARI/IRC spectroscopic survey for interstellar ice study

  • Kim, Jaeyeong;Lee, Jeong-Eun;Kim, Il-Seok;Aikawa, Yuri;Jeong, Woong-Seob;Lee, Ho-Gyu;Noble, Jennifer A.;Dunham, Michael M.
    • The Bulletin of The Korean Astronomical Society
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    • v.44 no.1
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    • pp.41.3-41.3
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    • 2019
  • Ices in interstellar environments are well traced mostly by their absorption features in the near- to mid-infrared spectrum. The infrared camera (IRC) aboard AKARI provides us the near-infrared spectroscopic data which cover $2.5-5.0{\mu}m$ with a spectral resolution of R ~ 120. Our AKARI spectroscopic survey of young stellar objects (YSOs), including low-luminosity protostars and background stars, revealed the absorption features of $H_2O$, $CO_2$, CO, and XCN ice components. We present near-infrared spectra of the observed targets and compare their ice abundances with those previously derived from various YSOs and the background stars behind dense molecular clouds and cores. In addition, we suggest possible science cases for SPHEREx, NASA's new near-infrared space observatory, based on the results from our AKARI IRC spectroscopic study.

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Evolutionary Models for Helium Giant Stars as Type Ibn Supernova Progenitors.

  • Kim, Jihoon;Yoon, Sung-Chul
    • The Bulletin of The Korean Astronomical Society
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    • v.43 no.2
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    • pp.40.1-40.1
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    • 2018
  • Among Type I supernovae, which show no evidence for hydrogen lines in spectra, Type Ib/c supernovae lack of strong Si absorption lines and are involved with massive progenitors. While strong helium absorption lines are present in Type Ib supernovae, narrow helium emission lines also can appear in some Type Ib that are often called Type Ibn supernovae (SNe Ibn). We consider helium giant stars as a promising progenitor candidate for SN Ibn and suggest the evolutionary scenario through binary systems using MESA code. In our models the range of primary mass is 11 - 20 solar mass, mass ratio is 0.5 - 0.9, and initial period is 1.5 / 1.7 / 2.0 / 2.5 / 3.0 day. In particular, we find that the evolution of the secondary star can overtake the primary through mass transfer from the secondary to the primary, which is so-called 'reverse case B' mass transfer. In such systems the secondary star may undergo a supernova explosion earlier than the primary star. In this case, the primary star evolves towards a single helium giant to become a SN Ibn progenitor. These cases are more frequent in relatively low initial primary mass.

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