• 제목/요약/키워드: Vibrational spectra

검색결과 151건 처리시간 0.025초

유체가 채워진 실린더형 공동에 의한 탄성파 공명 산란 해석 (Elastic Wave Resonance Scattering from a Fluid-filled Cylindrical Cavity)

  • Huinam Rhee;Park, Youngjin
    • 한국소음진동공학회:학술대회논문집
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    • 한국소음진동공학회 2002년도 춘계학술대회논문집
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    • pp.208-213
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    • 2002
  • A new method is presented for the isolation of resonances from scattered waves for elastic wave resonance scattering problems. The resonance scattering function consisting purely of resonance information is defined. Elastic wave resonance scattering from a water-filled cylindrical cavity imbedded in an aluminum matrix is numerically analyzed. The classical resonance scattering theory and the new method compute different magnitudes and phases of the resonances from each partial wave, and therefore. their total resonance spectra are quite different. The exact $\pi$ - radians phase shifts through the resonance and anti-resonance frequencies show that the proposed method properly extracts the vibrational resonance information of the scatterer compared to resonance scattering theory.

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Silver Mirror Substrate를 이용한 Bromothymol Blue의 SERS 연구 (SERS Study of Bromothymol Blue Using the Silver Mirror substrate)

  • 이철재;정맹준;김동엽
    • 한국산업융합학회 논문집
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    • 제15권2호
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    • pp.43-47
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    • 2012
  • In this study, the experiments for surface enhancement of silver mirror substrate were done, where we checked the characteristics of silver mirror substrate made by Tollen's method. The surface enhancement of Bromothymol blue was analyzed by three kind of silver mirror substrates. The assignments of the vibrational bands shown in SERS spectra are given based on both literature and the semi-empirical calculations at the PM3 methods. Finally, we deduced that the adsorption orientation of bromothymol blue was little tilted flat to the silver mirror surfaces by using of the surface selection rules.

Effect of power law index for vibration of armchair and zigzag single walled carbon nanotubes

  • Khadimallah, Mohamed Amine;Hussain, Muzamal
    • Steel and Composite Structures
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    • 제37권5호
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    • pp.621-632
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    • 2020
  • This research deals with the study of vibrational behavior of armchair and zigzag single-walled carbon nanotubes invoking extended Love shell theory. The effects of different physical and material parameters on the fundamental frequencies are investigated. By using volume fraction for power law index, the fundamental natural frequency spectra for two forms of single-walled carbon nanotubes are calculated. The influence of frequencies against length-to-diameter ratios with varying power law index are investigated in detail for these tubes. To discretize the governing equation in eigen-value form, wave propagation approach is developed. Complex exponential functions have been used and the axial model depends on boundary condition that has been described at the edges of carbon nanotubes to calculate the axial modal dependence. Computer software MATLAB is utilized for the frequencies of single-walled carbon nanotubes and current results shows a good stability with comparison of other studies.

Polymorphic Forms of Furosemide Characterized by THz Time Domain Spectroscopy

  • Ge, Min;Liu, Guifeng;Ma, Shihua;Wang, Wenfeng
    • Bulletin of the Korean Chemical Society
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    • 제30권10호
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    • pp.2265-2268
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    • 2009
  • Terahertz time domain spectroscopy (THz-TDS) is applied in transmission to identify the five forms of modifications of furosemide and one commercial product from 0.3 THz to 1.6 THz at room temperature. The different absorption spectra of the different forms are sensitive to crystal structures. Density function theory (DFT) calculation was used to understand the vibrational modes of furosemide in the THz region. X-ray powder diffractometry (XRPD) was applied to confirm the different forms of modifications. The results demonstrate that THz-TDS is a potential analytical technique in investigating polymorphic forms in the pharmaceutical fields.

Surface-enhanced Raman Spectroscopy of Ethephone Adsorbed on Silver Surface

  • Lee, Chul-Jae;Kim, Hee-Jin;Karim, Mohammad Rezaul;Lee, Mu-Sang
    • Bulletin of the Korean Chemical Society
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    • 제27권4호
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    • pp.545-548
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    • 2006
  • We investigated the Surface-enhanced Raman Spectroscopy (SERS) spectrum of ethephone (2-chloroethylphosphonic acid). We observed significant signals in the ordinary Raman spectrum for solid-state ethephone as well as when it was adsorbed on a colloidal silver surface, strong vibrational signals were obtained at a very low concentration. The SERS spectra were obtained by silver colloids that were prepared by the $\gamma$-irradiation method. The influence of pH and the influence of anion $(Cl^-,\;Br^-,\;I^-)$ on the adsorption orientation were investigated. Two different adsorption mechanisms were deduced, depending on the experimental conditions. The chlorine atom or the chlorine and two oxygen atoms were adsorbed on the colloidal silver surface. Among halide ions, $Br^-$ and $I^-$ were more strongly adsorbed on the colloidal silver surfaces. As a result, the adsorption of ethephone was less effective due to their steric hinderance.

Development of Femtosecond Stimulated Raman Spectroscopy: Stimulated Raman Gain via Elimination of Cross Phase Modulation

  • Jin, Seung-Min;Lee, Young-Jong;Yu, Jong-Wan;Kim, Seong-Keun
    • Bulletin of the Korean Chemical Society
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    • 제25권12호
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    • pp.1829-1832
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    • 2004
  • We have developed a new femtosecond probe technique by using stimulated Raman spectroscopy. The cross phase modulation in femtosecond time scale associated with off-resonant interaction was shown to be eliminated by integrating the transient gain/loss signal over the time delay between the Raman pump pulse and the continuum pulse. The stimulated Raman gain of neat cyclohexane was obtained to demonstrate the feasibility of the technique. Spectral and temporal widths of stimulated Raman spectra were controlled by using a narrow band pass filter. Femtosecond stimulated Raman spectroscopy was proposed as a highly useful probe in time-resolved vibrational spectroscopy.

Enhanced Raman Spectrum of Juglone on Ag Surface: Is It a Simile to That of Lawsone?

  • Cheong, Byeong-Seo;Cho, Han-Gook
    • Bulletin of the Korean Chemical Society
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    • 제34권1호
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    • pp.68-74
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    • 2013
  • The surface enhanced Raman spectrum of juglone, a traditional natural dye, has been observed by a custom-built micro-Raman setup. The spectral features of juglone significantly differ from those of lawsone, a structural isomer of juglone; only small red shifts of the double bond stretching bands are observed, and strong SERS bands are observed in the lower frequency regions as well. The DFT computations reveal that juglone coordinated to an $Ag^+$ adatom with $H^+$ release best correlates with the observed vibrational characteristics in the SERS spectrum among the plausible configurations of juglone coordinated to an adatom on the Ag surface, in line with the previously studied lawsone case. The differences in the SERS spectra of juglone and lawsone are attributed to the different locations of the hydroxyl group in the two isomers.

Vanadyl Binary Schiff Base Complexes Containing N2O2 Coordination Sphere: Synthesis, Ab Initio Calculations and Thermodynamic Properties

  • Asadi, Mozaffar;Ghatee, Mohammad Hadi;Torabi, Susan;Mohammadi, Khosro;Moosavi, Fatemeh
    • 대한화학회지
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    • 제57권1호
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    • pp.63-72
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    • 2013
  • Some vanadyl complexes were synthesized by treating a methanolic solution of the appropriate Schiff base ligand and one equivalent of $VO(SO_4)_2$ to yield [($VOL_2^{1-14}$)](L=Salicylaldehyde's derivatives, Schemes 1, 2). These oxovanadium (IV) complexes were characterized based on their FT-IR, UV-Vis spectroscopy and elemental analysis. The IR spectra suggest that coordination takes place through azomethine nitrogen and phenolate oxygen. In addition, the formation constants of the oxovanadium (IV) binary complexes were determined in methanolic medium. The ab initio calculations were also carried out to determine the structural and the geometrical properties of one of the complexes and its calculated vibrational frequencies were investigated.

SERS Analysis of CMC on Gold-Assembled Micelle

  • Jang, Nak-Han
    • Bulletin of the Korean Chemical Society
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    • 제25권9호
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    • pp.1392-1396
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    • 2004
  • The micellization of dodecylpyridinum chloride (DPC) assembled on aqueous gold nanoparticles has been studied as a function of concentration using Surface-Enhanced Raman Scattering (SERS). At the low concentration, the strong SERS band of the benzene ring moiety was observed at 1025 $cm^{-1}$, and assigned to “trigonal ring breathing”. According to high concentration of DPC, a new strong band was also appeared at 1012 $cm^{-1}$, which was assigned to “totally symmetry ring breathing”. The difference of two spectra seems to ascribe to the geometry of polar head group, i.e., pyridinium cation. These geometry exist flat-down at low concentration, whereas standing-up or tilted geometry at high concentration. The critical micelle concentration (CMC) was first obtained from the ratio of intensities of the two bands related to the benzene ring moiety by vibrational spectroscopy, and was about 28 mM. After the CMC, the benzene ring moiety in the micelle state was more restricted than in monomer state because there is no more change of intensities at 1012 $cm^{-1}$. In addition, the size of gold-assembled micelle was estimated using light scattering and it was about 328.3 nm.

음향파 공명 산란의 새로운 해석방법 (A New Method for Extracting Resonance Information in Acoustic Wave Resonance Scattering)

  • 이희남;박영진
    • 소음진동
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    • 제9권2호
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    • pp.409-417
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    • 1999
  • A new method is proposed for the isolation of resonances from scattered waves for the isolaton of resonances from scattered waves for acoustic wave resonance scattering problems. The resonance scattering function consisting purely of resonance information is defined. Acoustic wave scattering from a variety of submerged bodies is numerically analyzed. The classical resonance scattering theory (RST) and the new method compute identical magnitudes of the resonances from each partial wave, however, the phases are significantly different. The exact $\pi$-radians phase shifts through the resonance and anti-resonance frequencies show that the proposed method properly extracts the vibrational resonance information of the scatterer. Due to the differences in phases of the resonances from each partial wave, the new method and RST generate different total resonance spectra.

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