• Title/Summary/Keyword: Molecular Spectroscopy

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Electrical Properties of Nanoscale LB Layers of Amphiphilic Conducting Material (전도성 양친매성의 Nanoscale LB 막의 전기적 특성)

  • 최인희;박수길;김재호;조병호;이주성
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1996.11a
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    • pp.221-224
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    • 1996
  • We synthesized amphiphilic material including dye skeleton, p-phenylenediamine(PD) by attaching norma-decyl group of two strands at a part of coordinating atom, for obtaining reasonable design of LB uniform films. The synthesis of this compounds was quantitatively carried out under ultra pure state. This product was identified with FT-lR spectroscopy, UV absortion spectroscopy, and $^1$H-NMR spectroscopy, respectively. When manufacturing monolayer, we confirmed molecular area from pressure-area($\pi$-A) cutie of thiscompound onto the surface of the water. The spectroscopic approach also has done by UV absortion spectroscopy. It was shown that PD-complex LBfilms were deposited well with monolayer thickness. The conductivity based on I-V characteristics of PD-complex LB films were in the range of 10$^{-10}$ S/cm at room temperture. The microscopic properties by AFM, showed the good orientation of various monolayer or multilayer molecules

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NEAR-INFRARED HIGH-RESOLUTION SPECTROSCOPY OF THE OBSCURED AGN IRAS 01250+2832

  • Shirahata, M.;Usuda, T.;Oyabu, S.;Nakagawa, T.;Yamamura, I.
    • Publications of The Korean Astronomical Society
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    • v.27 no.4
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    • pp.295-296
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    • 2012
  • We provide a new physical insight on the hot molecular clouds near the nucleus of the heavily obscured AGN IRAS 01250+2832, based on the results of near-infrared high-resolution spectroscopy of gaseous CO ro-vibrational absorption lines with Subaru/IRCS. The detected CO absorption lines up to highly excited rotational levels reveal that hot dense molecular clouds exist around the AGN under the peculiar physical conditions.

Solution Structure of pA2, the Mimotopic Peptide of Apolipoprotein A-I, by NMR Spectroscopy

  • Won, Ho-Shik
    • Bulletin of the Korean Chemical Society
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    • v.32 no.11
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    • pp.4016-4020
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    • 2011
  • A number of mimetic peptides of apolipoprotein A-I, a major component for high density lipoproteins (HDL), were screened from the phase-displayed random peptide library by utilizing monoclonal antibodies (A12). A mimetic peptide for A12 epitope against apolipoprotein A-I was selected as FVLVRDTFPSSVCCP(pA2) exhibiting 45% homology with Apo A-I in the BLAST search. Solution structure determination of this mimotope was made by using 2D-NMR data and NMR-based distance geometry (DG)/molecular dynamic calculations. The resulting DG structures had low penalty value of 0.4-0.6 ${\AA}^2$ and the total RMSD of 0.7-1.7 ${\AA}$. The mimotope pA2 exhibited a characteristic ${\beta}$-turn conformation from Val[2] to Phe[8] near Pro[9] residue.

Electronic structure of potassium-doped copper phthalocyanine studied by photoemission spectroscopy and density functional calculations

  • Im, Yeong-Ji;Kim, Jong-Hun;Ji, Dong-Hyeon;Jo, Sang-Wan
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.142.2-142.2
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    • 2016
  • The metal intercalation to an organic semiconductor is of importance since the charge transfer between a metal and an organic semiconductor can induce the highly enhanced conductivity for achieving efficient organic electronic devices. In this regard, the changes of the electronic structure of copper phthalocyanine (CuPc) caused by the intercalation of potassium are studied by ultraviolet photoemission spectroscopy (UPS) and density functional theory (DFT) calculations. Potassium intercalation leads to the appearance of an intercalation-induced peak between the highest molecular occupied orbital (HOMO) and the lowest molecular unoccupied orbital (LUMO) in the valence-band spectra obtained using UPS. The DFT calculations show that the new gap state is attributed to filling the LUMO+1, unlike a common belief of filling the LUMO. However, the LUMO+1 is not conductive because the ${\pi}$-conjugated macrocyclic isoindole rings on the molecule do not make a contribution to the LUMO+1. This is the origin of a metal-insulator transition through heavily potassium doped CuPc.

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Structure and Dynamics of Perfluoroalkanes and Their ${\beta}$-Cyclodextrin Inclusion Compounds Investigated by Solid-state $^{19}F$ MAS NMR

  • Tatsuno, Hiroto;Ando, Shinji
    • Proceedings of the Polymer Society of Korea Conference
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    • 2006.10a
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    • pp.305-305
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    • 2006
  • The molecular structure and dynamics of inclusion compounds (ICs) consisting of n-perfluoroalkane (PFA) guests and ${\Box}-cyclodextrin$ (${\Box}-CD$) host were investigated using $^{19}F$ magic angle spinning (MAS) and $^{1}H{\to}^{19}F$ cross polarization (CP) / MAS NMR spectroscopy with the aid of thermal analyses, FT-IR spectroscopy, X-ray diffraction, and $^{1}H{\to}^{19}F$ CP/MAS technique revealed that $C_{9}F_{20}$ molecules included in ${\Box}-CD$ undergo vigorous molecular motion and partly come out of the ${\Box}-CD$ channel above $80^{\circ}C$. In case of $C_{20}F_{42}/{\Box}-CD$, an exothermic peak is observed by differential scanning calorimetry (DSC) at ca. $40^{\circ}C$ which suggests that ${\Box}-CD$ molecules become mobile and commence rearrangements that form more ordered structures at higher temperatures.

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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.

Characterization of the molten globule conformation of V26A ubiquitin by far-UV circular dichroic spectroscopy and amide hydrogen/deuterium exchange

  • Park, Soon-Ho
    • BMB Reports
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    • v.41 no.1
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    • pp.35-40
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    • 2008
  • The molten globular conformation of V26A ubiquitin (valine to alanine mutation at residue 26) was studied by nuclear magnetic resonance spectroscopy in conjunction with amide hydrogen/deuterium exchange. Most of the amide protons that are involved in the native secondary structures were observed to be protected in the molten globule state with the protection factors from 1.2 to 6.7. These protection factors are about 2 to 6 orders of magnitude smaller than those of the native state. These observations indicate that V26A molten globule has native-like backbone structure with marginal stability. The comparison of amide protection factors of V26A ubiquitin molten globule state with those of initial collapsed state of the wild type ubiquitin suggests that V26A ubiquitin molten globule state is located close to unfolded state in the folding reaction coordinate. It is considered that V26A ubiquitin molten globule is useful model to study early events in protein folding reaction.

The study of oxygen molecules on Pt (111) surface with high resolution x-ray photoemission spectroscopy

  • Kim, Yong-Su;Bostwick, Aaron;Rotenberg, Eli;Ross, Philip N.;Hong, Soon-Cheol;Mun, Bong-Jin Simon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.08a
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    • pp.61-61
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    • 2010
  • By using high resolution x-ray photoelectron spectroscopy, we show that inelastic scattering of photoelectron at low temperature (30K~50K) generates two kinds of oxygen species on Pt (111) surface. Intense synchrotron radiation source dissociates oxygen molecules into chemisorbed atomic oxygen and induces the formation of PtO on surface. Estimated coverage of dissociated atomic oxygen is 0.5 ML, suggesting possible formation of p($2{\times}1$) surface structure, while PtO coverage shows saturation coverage of 0.5 ML. Molecular oxygen dosed at 30 K undergoes thermally activated transition from physisorbed to chemisorbed state at around 40K.

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The Interfacial Electronic Structure of Organic-organic Heterojunction: Effect of Molecular Orientation

  • Jo, Sang-Wan
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.114.2-114.2
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    • 2014
  • The orientation of the constituent molecules in organic thin film devices can affect significantly their performance due to the highly anisotropic nature of ${\pi}$-conjugated molecules. We report here an angle dependent x-ray absorption study of the control of such molecular orientation using well-ordered interlayers for the case of a bilayer heterojunction of chloroaluminum phthalocyanine (ClAlPc) and C60. Furthermore, the orientation-dependent energy level alignment of the same bilayer heterojunction has been measured in detail using synchrotron radiation-excited photoelectron spectroscopy. Regardless of the orientation of the organic interlayer, we find that the subsequent ClAlPc tilt angle improves the ${\pi}-{\pi}$ interaction at the interface, thus leading to an improved short-circuit current in photovoltaic devices based on ClAlPc/C60. The use of the interlayers does not change the effective band gap at the ClAlPc/C60 heterointerface, resulting in no change in open-circuit voltage.

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Soft X-ray Spectroscopy of ClAlPc/Pentacene/ITO Interfaces: Role of ClAlPc on Energetic Band Alignment

  • Kim, Min-Su;Heo, Na-Ri;Lee, Sang-Ho;Jo, Sang-Wan;Smith, Kevin E.
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.190.1-190.1
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    • 2014
  • The interfacial electronic structure of a bilayer of chloroaluminum phthalocyanine (ClAlPc) and pentacene grown on indium tin oxide (ITO) has been studied using synchrotron radiation-excited photoelectron spectroscopy. The energy difference between the highest occupied molecular orbital (HOMO) level of the pentacene layer and the lowest unoccupied molecular orbital (LUMO) level of the ClAlPc layer (EDHOMO - EALUMO) was determined and compared with that of C60/pentacene bilayers. The EDHOMO - EALUMO of a heterojunction with ClAlPc was found to be 1.4 eV, while that with C60 was 1.0 eV. This difference is discussed in terms of the difference of the ionization energy of each acceptor materials. We also obtained the complete energy level diagrams of ClAlPc/pentacene/ITO and C60/pentacene/ITO, respectively.

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