• 제목/요약/키워드: frequency shifts

검색결과 177건 처리시간 0.023초

Relationship between Infrared Peak Maximum Position and Molecular Interactions

  • Ryu, Soo-Ryeon;Noda, Isao;Jung, Young-Mee
    • Bulletin of the Korean Chemical Society
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    • 제32권11호
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    • pp.4011-4015
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    • 2011
  • We explored the interpretation of the well-accepted correlation between the apparent peak maximum position shift and extent of molecular interactions, like hydrogen bonding and dipole-dipole interactions, based on the overlapped multiple band model. The simulation of two overlapped Lorentzian bands was carried out to interpret how the maximum position of a composite peak relates to the relative contributions of two species representing the different levels of molecular interactions, i.e., free (or very weekly bound) vs. strongly bound. To demonstrate the validity of our interpretation of the origin of the peak position shift, the temperaturedependent IR spectra of ethylene glycol were also analyzed. It was found through the analysis of simulated and experimental spectra that the apparent peak shift in certain case can be safely interpreted as the measure of the strength of hydrogen bonding. The result of this study gives a new insight to interpret molecular interactions probed by vibrational spectroscopy.

Synthesis, Crystal Structure, Spectra Characterization and DFT Studies on a Di-Cycle Pyrazoline Derivative

  • Song, Jie;Zhao, Pu Su;Zhang, Wei Guang
    • Bulletin of the Korean Chemical Society
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    • 제31권7호
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    • pp.1875-1880
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    • 2010
  • A dicycle pyrazoline derivative, 1-phenyl-5-(p-fluorophenyl)-3,4-($\alpha$-p-fluoro-tolylenecyclohexano) pyrazoline, was synthesized and characterized by elemental analysis, IR, UV-vis, fluorescence spectra and X-ray single crystal diffraction. Density function theory (DFT) calculations were performed by using B3LYP method with 6-$311G^{**}$ basis set. The optimized geometry can well simulate the molecular structure. Vibrational frequencies were predicted, assigned and compared with the experimental values, which suggest that B3LYP/6-$311G^{**}$ method can well predict the IR spectra. Both the experimental electronic absorption spectra and the predicted ones by B3LYP/6-$311G^{**}$ method reveal three electron-transition bands, with the theoretical ones having some red shifts compared with the experimental data. Natural bond orbital analyses indicate that the absorption bands are mainly derived from the contribution of n $\rightarrow\pi^*$ and $\pi\rightarrow\pi^*$ transitions. Fluorescence spectra determination shows that the title compound can emit blue-light at about 478 nm. On the basis of vibrational analysis, the thermodynamic properties of title compound at different temperature have been calculated, revealing the correlations between $C^0_{p,m}$, $S^0_m$, $H^0_m$ and temperature.

Effects of Sheet Thickness on the Electromagnetic Wave Absorbing Characterization of Li0.375Ni0.375Zn0.25-Ferrite Composite as a Radiation Absorbent Material

  • Kim, Dong-Young;Yoon, Young-Ho;Jo, Kwan-Jun;Jung, Gil-Bong;An, Chong-Chul
    • Journal of electromagnetic engineering and science
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    • 제16권3호
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    • pp.150-158
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    • 2016
  • This paper reports on a study of LiNiZn-ferrite composite as a radiation absorbent material (RAM). The electromagnetic (EM) wave absorbers are composed of an EM wave absorbing material and a polymeric binder. The surface morphology, chemical composition, weight percent of the ferrite composite of the toroid sample, magnetic properties, and return loss are investigated using field emission scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), vibrating sample magnetometer (VSM), and network analyzer. For preparing the absorbing sheet, chlorinated polyethylene (CPE) is used as a polymeric binder. The EM wave absorption properties of the prepared samples were studied at 4 - 8 GHz. We can confirm the effects of the thickness of the samples for absorption properties. An absorption bandwidth of more than a 10-dB return loss shifts toward a lower frequency range along with an increase in the thickness of the absorber.

Elimination of environmental temperature effect from the variation of stay cable force based on simple temperature measurements

  • Chen, Chien-Chou;Wu, Wen-Hwa;Liu, Chun-Yan;Lai, Gwolong
    • Smart Structures and Systems
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    • 제19권2호
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    • pp.137-149
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    • 2017
  • Under the interference of the temperature effect, the alternation of cable force due to damages of a cable-stayed bridge could be difficult to distinguish. Considering the convenience and applicability in engineering practice, simple air or cable temperature measurements are adopted in the current study for the exclusion of temperature effect from the variation of cable force. Using the data collected from Ai-Lan Bridge located in central Taiwan, this work applies the ensemble empirical mode decomposition to process the time histories of cable force, air temperature, and cable temperature. It is evidently observed that the cable force and both types of temperature can all be categorized as the daily variation, long-term variation, and high-frequency noise in the order of decreasing weight. Moreover, the correlation analysis conducted for the decomposed variations of all these three quantities undoubtedly indicates that the daily and long-term variations with different time shifts have to be distinguished for accurately evaluating the temperature effect on the variation of cable force. Finally, consistent results in reducing the range of cable force variation after the elimination of temperature effect confirm the validity and stability of the developed method.

Fluorescence Excitation Spectroscopy of Octatetraene-Xe van der Waals Clusters

  • Kim, Taek-Soo;Choi, Kyo-Won;Kim, Sang-Kyu;Choi, Young-S.;Park, Sung-Woo;Ahn, Doo-Sik;Lee, Sung-Yul;Yoshihara, Keitaro
    • Bulletin of the Korean Chemical Society
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    • 제23권2호
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    • pp.195-200
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    • 2002
  • Fluorescence excitation spectrum of the trans.trans-1,3,5,7-octatetraene(OT)-Xe van der Waals clusters formed in supersonic jet expansions has been obtained. The transition lines corresponding to the van der Waals cluters of OT with Xe are observed in the lower frequency side of the OT band origin. Based on the spectral shifts, fluorescence lifetimes, and concentration dependence of the peak intensities, most of the transition lines are assigned to the $OT-Xe_n$ (n = 1, 2, 3, 4) clusters. Long progressions of a van der Waals vibrational mode are observed for n = 1, 2, 3 and 4 clusters and assigned to rocking of the OT moiety with respect to the Xe atom with the help of ab initio quantum mechanical calculation.

비대칭 공기흡입구를 통해 전파하는 소음의 방사특성에 관한 수치적 연구 (Numerical Investigation on Radiation Characteristics of Noise Propagating through Asymmetry Aero-Intake)

  • 박용환;김민우;이규호;이수갑
    • 한국소음진동공학회:학술대회논문집
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    • 한국소음진동공학회 2007년도 추계학술대회논문집
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    • pp.1476-1481
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    • 2007
  • Numerical investigation on radiation characteristics of discrete frequency noise from asymmetry aero-intakes was carried out. The near-field predictions were obtained by solving the linearized Euler equations with computational aeroacoustic techniques consisting of high order finite difference scheme, non-reflecting boundary conditions, oversetgrid techniques. For the prediction of far-field directivity pattern, the Kirchhoff integral method was applied. By comparing the directivities of noise radiating from the scarf and the scoop aero-intakes with that from an axisymmetric aero-intake, it is shown that noise reduction at downward peak radiation angle can be achieved. The scattering of the radiating acoustic wave by background mean flow shifts the peak lobe radiation angle toward ground and increases the amplitude of the acoustic pressure compared with the cases without mean flow effect.

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MMIC화를 위한 RF용 튜닝가능한 다층 박막 유전체 필터 설계 및 시뮬레이션 (Design and Simulation of Tunable Dielectric Multilayer (TDM) Filters for RF and MMIC Applications)

  • 윤기완;채동규;임문혁;김동현
    • 한국정보통신학회논문지
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    • 제7권4호
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    • pp.730-735
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    • 2003
  • 본 논문에서는 BSTO 강유전체를 이용한 가변 대역통과필터들을 4가지 유형의 예를 들어 제안한다. 제안 기술에서 인가 전압이 증가할수록 강유전체의 유효 유전율은 비선형적으로 감소하고 따라서 중심 주파수가 높은 쪽으로 이동한다 이 때 사용하는 강유전체로는 STO와 BSTO가 있는데 STO는 100K 이하의 저온에서, BSTO는 실온에서 주로 사용한다. 본 제안 기술은 차세대 무선통신 기술 발전에 매우 유용하게 기여 할 것으로 보인다.

CAF 계산의 효율성 개선과 성능 향상 (Improvement of CAF estimation performance)

  • 조세영;김수영
    • 한국위성정보통신학회논문지
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    • 제4권1호
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    • pp.21-27
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    • 2009
  • 본 논문에서는 임의의 전파를 발사하는 송신원의 위치를 파악하기 위한 방법의 하나로써 시간 차이와 주파수 차이를 이용하는 교차모호함수를 사용하여 시뮬레이션 한 결과를 소개한다. 동일한 송신 신호가 서로 다른 경로를 통하여 수신될 경우 두 신호가 가지고 있는 시간 지연의 차이가 있고, 또 서로 다른 도플러 천이로 인하여 주파수 천이를 가지게 된다, 이러한 성질을 이용하여 서로 다른 시간 지연과 주파수 천이를 가지는 두 신호에 대한 교차모호함수를 계산하고, 이 함수가 최대 값을 가지도록 하는 시간 및 주파수 천이를 구하여 전파를 발사한 송신국의 위치를 파악할 수 있게 된다. 본 논문에서는 이러한 교차모호 함수를 이용하여 여러 가지 환경에 따른 시뮬레이션 결과를 소개하고, CAF 계산의 효율성을 개선하고 성능을 향상시키는 방법에 대해 소개한다.

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Dynamic instability response in nanocomposite pipes conveying pulsating ferrofluid flow considering structural damping effects

  • Esmaeili, Hemat Ali;Khaki, Mehran;Abbasi, Morteza
    • Structural Engineering and Mechanics
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    • 제68권3호
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    • pp.359-368
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    • 2018
  • This paper deals with the dynamic stability of nanocomposite pipes conveying pulsating ferrofluid. The pipe is reinforced by carbon nanotubes (CNTs) where the agglomeration of CNTs are considered based on Mori-Tanaka model. Due to the existence of CNTs and ferrofluid flow, the structure and fluid are subjected to axial magnetic field. Based on Navier-Stokes equation and considering the body forced induced by magnetic field, the external force of fluid to the pipe is derived. For mathematical modeling of the pipe, the first order shear deformation theory (FSDT) is used where the energy method and Hamilton's principle are used for obtaining the motion equations. Using harmonic differential quadrature method (HDQM) and Bolotin's method, the motion equations are solved for calculating the excitation frequency and dynamic instability region (DIR) of the structure. The influences of different parameters such as volume fraction and agglomeration of CNTs, magnetic field, structural damping, viscoelastic medium, fluid velocity and boundary conditions are shown on the DIR of the structure. Results show that with considering agglomeration of CNTs, the DIR shifts to the lower excitation frequencies. In addition, the DIR of the structure will be happened at higher excitation frequencies with increasing the magnetic field.

고온초전도체 $SmBa_2Cu_2O_y$ 교류자화율 (AC susceptibility of the $high-T_c$ superconductor $SmBa_2Cu_2O_y$)

  • 김홍;이부영;이준호;김영철
    • Progress in Superconductivity
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    • 제6권1호
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    • pp.89-94
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    • 2004
  • The policrystalline$SmBa_2$$Cu_2$$O_{y}$ was synthesized by the solid state reaction method. The dependence of AC susceptibility on temperature and applied ac field was studied. The critical temperature $T_{c}$ is about 92 K. As the ac field is increased, the slope and the value of real part of susceptibility become smaller and the peak position of imaginary part $T_{P}$ was shifted to a lower temperature with peak broadening. Using Bean's model, we determined intergrain critical current density $J_{c}$ and obtained $44 A/{cm}^2$ at 75 K. From the relation of the $J_{c}$ (T)=($1-T/T_{c}$ )$^{\beta}$ we obtained $\beta$=0.8 and found that the Josephson junction type of the $SmBa_2$$Cu_2$$O_{y}$ is SIS junction. The peak of the imaginary part shifts to higher temperature with increasing frequency, f. from Arrhenius plot, we obtained the activation energy of about 0.96 eV.

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