• 제목/요약/키워드: Spectroscopic constants

검색결과 75건 처리시간 0.023초

Vibrational Analysis of Dopamine Neutral Bae based on Density Functional Force Field

  • 박선경;이남수;이상호
    • Bulletin of the Korean Chemical Society
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    • 제21권10호
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    • pp.1035-1038
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    • 2000
  • Vibrational properties of dopamine neutral species in powder state have been studied by means of the normal mode analysis based on the force constants obtained from the density functional calculation at B3LYP level and the results of Fourier trans form Raman and infrared spectroscopic measurements. Ab initio calculation at MP2 level shows that the trans conformer of dopamine has higher electronic energy about 1.4 kcal/mol than those of the gauche+ and the gauche-conformers, and two gauche conformers have almost the same energies. Free energies calculated at HF and B3LYP levels show very similar values for three conformers within 0.3 kcal/mol. Empirical force field has been constructed from force constants of three conformers, and refined upon ex-perimental Raman spectrum of dopamine to rigorous values. The major species of dopamine neutral base in the powder state is considered a trans conformer as shown in the crystallographic study of dopamine cationic salt.

유기산의 해리평형에 미치는 치환기 효과와 그의 온도 및 압력의 영향. (2) 수용액중에서 몇가지 치환나프톨류의 해리상수 (The Effect of Substituent, Pressure and Temperature on the Dissociation Constants of Organic Acids. (2) Dissociation Constants of Some Substituted Naphthols in Aqueous Solution)

  • 황정의;배준웅;정종재;정재원;장경희
    • 대한화학회지
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    • 제30권2호
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    • pp.152-158
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    • 1986
  • 치환나프톨류(4-Cl-1-naphthol, 6-Br-2-naphthol and $8-NH_2-2-naphthol)$의 해리상수를 온도(25 ~ 40${\circ}C$)와 압력(1~2000bar)을 변화시키면서 분광학적 방법으로 측정했다. 이들의 해리상수는 치환기가 들어가므로서 모두 감소했다. 이것은 치환기의 I-효과로서 설명이 가능했으며 또 온도와 압력이 증가하면 해리상수도 증가하였다. 이들 해리상수로부터 반응의 열역학적 성질을 계산하여 반응의 성질을 알아보았다.

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다량의 붕소원소를 함유하는 식물의 중금속 이온 교환반응 (Heavy Metal Son Exchange Reaction in Boron-Rich Containing Plants)

  • 배계선;성대동
    • 한국환경과학회지
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    • 제5권6호
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    • pp.757-762
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    • 1996
  • The removal effectiveness of various heavy metal ions in boron-rich containing plants has been studied by means of spectroscopic and pH methods. Treatment of the boron-rich containing sample which was collected from cherry and root of cabbage to heavy metal ions is resulted in that an excellent removal effect shows in the case of large ionic size of heavy metal. Stability constants are depended on the variation of pH.

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가변입사각 분광타원법을 이용한 유기 발광 박막의 광학 상수 및 두께 결정 (Determination of optical constants and thickness of organic electroluminescence films using variable angle spectroscopic ellipsometry)

  • 류장위;김상열;김동현;정혜인
    • 한국광학회:학술대회논문집
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    • 한국광학회 2001년도 제12회 정기총회 및 01년도 동계학술발표회
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    • pp.264-265
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    • 2001
  • 영상표시방법은 관례적인 CRT 방법에 더하여 LCD, TFT-LCD, FED, PDP 등 다양한 방법들이 개발되었거나 개발되고 있다. 유기발광소자(OLED)를 이용한 영상표시법도 최근 그 실용성이 크게 향상된 방법으로 이 OLED를 이용하는 발광소자는 LCD, TFT-LCD 등의 방법과 마찬가지로 다층박막구조를 가지므로 각 박막층의 특성과 계면 급준성 등을 정확하게 평가하는 것은 긴요하다 하겠다. (중략)

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Effective Hamiltonian Study on the Valence States of NH and $NH^+$

  • Jong Keun Park;Hosung Sun
    • Bulletin of the Korean Chemical Society
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    • 제11권1호
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    • pp.34-41
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    • 1990
  • The second order ab initio effective valence shell Hamiltonian is calculated for the valence state potential energy curves of NH and $NH^+$. From the potential energy curves various spectroscopic constants of valence states are determined. The results are in good agreement with experiments and configuration interaction calculations. They show the composite picture of potential energy curves and also indicate that the second order effective Hamiltonian theory is adequate for describing various valence states of a molecule and its ions simultaneously.

RF 마그네트론 스퍼터링 방법으로 증착한 TiNx 박막의 광학상수 결정 (Determination of Optical Constants of TiNx was Sputtered with RF Magnetron Sputtering Method)

  • 박명희;김상룡;이순일;고근하
    • 한국안광학회지
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    • 제12권3호
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    • pp.77-81
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    • 2007
  • 금속테의 황색도금물질로 사용되는 티타늄질화물(titanium nitride: $TiN_x$)의 단일박막을 질소가스의 양을 달리 공급 하여 Si(100) 기판위에 초고진공 RF 마그네트론 스퍼터링(ultra high vacuum radio frequency magnetron sputtering) 방법으로 증착하였다. 박막 증착 후 가변입사각분광타원계를 사용하여 1.5-5.0 eV 에너지 영역에서 타원 각 ${\Delta}$${\Psi}$를 측정하였다. 이 측정결과들을 Drude+Lorentz oscillator 분산관계식을 사용하여 최적 맞춤하고, 매개변수들을 구하여 박막의 광학상수인 굴절계수 $n({\lambda})$과 소광계수 $k({\lambda})$를 각각 결정하였다.

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THE TEMPERATURE DEPENDENCE OF THE MAGNETIZATION OF THE AMORPHOUS $Co_{80+x}TM_{12}B_{8-x}$ (TM = Ti, Zr, Hf, Nb) ALLOYS

  • Han, Seung-Man;Yu, Seong-Cho;Kim, Kwang-Youn;Noh, Tae-Hwan;Kim, Hi-Jung
    • 한국자기학회지
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    • 제5권5호
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    • pp.496-499
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    • 1995
  • Amorphous $Co_{80+x}TM_{12}B_{8-x}$ (TM = Ti, Zr, Hf, Nb and x = 0, 2, 4 at%) alloys were prepared by single roll melt spinning technique. Saturation magnetization of the amorphous ribbons was measured by SQUID and vibrating sample magnetometer from 5 to 800 K under applied fields up to 10 kOe. Typical thermo-magnetization curves were observed and the average values of the spectroscopic splitting g factor were estimated from the ferromagnetic resonance curve. For all the amorphous alloys studied here the saturation magnetization in the temperature range 5 K up to about $0.3T_{c}$ can be described by the Bloch relation: $M_{s}(T)\;=\;M_{s}(0)(1-BT^{3/2}-CT^{5/2})$. From the values of $M_{s}(0)$, B and spectroscopic splitting g factor the spin wave stiffness constants were calculated.

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분광타원법을 이용한 스퍼터된 V2O5 박막의 성장특성 조사 (Investigation of Growth Properties of Sputtered V2O5 Thin Films Using Spectroscopic Ellipsometry)

  • 임성택;강만일;이규성;김용기;류지욱
    • 한국진공학회지
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    • 제16권2호
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    • pp.134-140
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    • 2007
  • [ $V_{2}O_{5}$ ] 박막의 성장특성을 분석하기 위해 RF 스퍼터링 시스템으로 C-Si 기판에 10 %와 0 %의 산소 분압비로 시료를 제작하였다. 구조적 특성의 분석을 위해 SBM과 XRD 측정을 실시하였고, 위상변조방식의 분광타원계를 이용하여 $0.75{\sim}4.0\;eV$ 범위에 걸쳐 타원상수를 측정하였다. 측정된 타원상수 분석을 위해 상용화된 분석용 프로그램인 DeltaPsi2를 이용하여, Double Amorphous 분산관계식으로 최적 맞춤 하였다. SEM과 XRD 측정결과 시료의 표면 및 결정 상태는 비정질임을 확인하였고, 타원상수의 분석에 의해 $V_{2}O_{5}$층의 두께, void비율, 표면 거칠기를 알 수 있었다. 또한 SEM 측정치와 비교한 결과 두 시료의 두께와 표면 거칠기의 결과가 잘 일치함을 확인 하였다.

Electrical/Optical Characterization of PZT Thin Films Deposited through Sol-Gel Processing

  • Hwang, Hee-Soo;Kwon, Kyoeng-Woo;Choi, Jeong-Wan;Do, Woo-Ri;Hwang, Jin-Ha
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2012년도 제43회 하계 정기 학술대회 초록집
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    • pp.361-361
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    • 2012
  • PZT (Pb(Zr,Ti)O3) thin films have been used widely in the MEMS application, due to their inherent ferroelectric and piezoelectric properties. Such ferroelectricity induces much higher dielectric constants compared to those of the nonperovskite materials. In this work, the PZT thin films were deposited onto Indium-Tin-oxide (ITO) substrates through the spin-coating of PZT sols. The deposited PZT thin films were characterized in terms of the electrical and optical properties with special emphases on conductivity and optical constants. The detailed analysis techniques incorporate the dc-based current-voltage characteristics for the electrical properties, spectroscopic ellipsometry for optical characterization, atomic force microscopy for surface morphology, X-ray Photoelectron Spectroscopy for chemical bonding, Energy-dispersive X-ray Spectrometry for chemical analyses and X-ray diffraction for crystallinity. The ferroelectric phenomena were confirmed using capacitance-voltage measurements. The integrated physical/chemical features are attempted towards energy-oriented applications applicable to next-generation high-efficiency power generation systems.

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Ellipsometry를 이용한 저 유전상수를 갖는 SiOCH박막의 광학특성 연구 (A Study of Optical Characteristics Correlated with Low Dielectric Constant of SiOCH Thin Films Through Ellipsometry)

  • 박용헌
    • 한국전기전자재료학회논문지
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    • 제23권3호
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    • pp.228-233
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    • 2010
  • We studied the optical characteristics correlated with low dielectric constants of low-k SiOCH thin films through ellipsometry. The low-k SiOCH thin films were prepared by CCP-PECVD method using BTMSM(Bis-trimethylsilylmethane) precursors deposited on p-Si wafer. The Si-O-CHx, Si-O-Si, Si-CHx, CHx and Si-H bonding groups were specified by FTIR spectroscopic spectra, and the groups coupled with the nano-porous structural organic/inorganic hybrid-type of SiOCH thin films which has extremely low dielectric constant close to 2.0. The structural groups includes highly dense pore as well as ions in SiOCH thin films affecting to complex refraction characteristics of single layer on the p-Si wafer. The structural complexity originate the complex refractive constants of the films, and resulted the elliptical polarization of the incident linearly polarized light source of Xe-light source in the range from 190 nm to 2100 nm. Phase difference and amplitude ratio between s wave and p wave propagating through SiOCH thin film was studied. After annealing, the amplitude of p wave was reduced more than s wave, and phase difference between p and s wave was also reduced.