• Title/Summary/Keyword: Dipole-dipole 상호작용

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Analysis of Photoluminescence of Eu3+ in YOBr and Investigation of Critical Distance (YOBr:Eu3+ 형광체의 발광특성과 임계거리 연구)

  • Kim, Gyeong Hwa;Park, Jong Gyu;Park, Hui Dong;Han, Jeong Hwa
    • Journal of the Korean Chemical Society
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    • v.45 no.6
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    • pp.570-576
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    • 2001
  • The europium doped yttrium oxybromide phosphors were synthesized by solid-state reaction method. The YOBr: $Eu^{3+}$ phosphor showed a strong and narrow red emission band at 621 nm and maximum emission intensity obtained when 0.05 mol Eu ions were doped. The red emission of $Eu^{3+}$ originated from $^5D_0$ ${\rightarrow}$ $^7F_2$electric dipole transition. In order to investigate on photoluminescence behavior, several experimental skills and numerical fittings are conducted to the YOBr: $Eu^{3+}$ phosphor. The emission spectrum was measured in the UV range and then decay curve of $^5D_0$ ${\rightarrow}$ $^7F_j$transitions was examined. The energy interaction type of YOBr: $Eu^{3+}$ phosphor was dipole-dipole interaction. In addition to the calculating by critical concentration, the critical distance ($R_0$) was calculated by decay curve fitting parameter from Inokuti-Hirayamas equation, and spectral overlap method. The critical distance was 17.03, 10.51 and 7.18$\AA$ for those methods, respectively. As considering systematic error of measurements, these values are within the same order, so that the above fitting methods are plausible and recommendable.

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Adsorption Behavior of Monosubstituted-Halophenols by Amberlite XAD Resins (Amberlite XAD 수지에 대한 일치환 할로 페놀들의 흡착거동에 관한 연구)

  • Lee, Taek Hyeok;Lee, Dae Un
    • Journal of the Korean Chemical Society
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    • v.34 no.3
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    • pp.267-279
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    • 1990
  • The adsorption mechanisms of phenols on XAD-2 and XAD-7 resins were studied by using the distribution coefficient(log Kd) measured in the optimum adsorption conditions. It was observed that the Langmuir adsorption isotherm, indicating a molecular size-dependent adsorption, was appropriate for characterizing the adsorption behaviors of phenols on XAD-2 and XAD-7 resins. The adsorption energies of phenols on XAD resins were calculated by Lennard-Jones potential equation. In the calculation of the adsorption energy, the molecular radii and dipole moments of the resins and phenols were calculated by their van der Waals volumes and Debye equation, respectively. The stacking factor (F) were determined from the radio of the equilibrium distance to the stacking distance of molecules. In order to explain the adsorption energy calculated from the stacking factor it was compared with the adsorption enthalpy for each of phenols which was experimentally determined by batch adsorption shake method. It was observed that the adsorption enthalpy of phenolate ions on the XAD resins was likely to be more seriously affected by dispersion interaction than by a dipole or a charge interaction.

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Energy Transfer and Cross-Relaxation in $Tb^{3+}$-doped Borosilicate Glasses ($Tb^{3+}$를 첨가한 Borosilicate 유리속에서 일어나는 에너지 전달과 Cross-Relaxation)

  • 김중환;문병기;오학태;김학수;윤수인;서효진;설정식
    • Korean Journal of Optics and Photonics
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    • v.1 no.2
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    • pp.149-154
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    • 1990
  • Energy transfer in $Tb^{3+}$-doped borosilicate glasses has been studied by the analysis of fluorescence intensities and lifetimes of $^5D_3$ and $^5D_4$ states as a function of Tb3+ concentration. It is shown that as the $Tb^{3+}$ concentration is increased the cross-relaxation produces high population of the $^5D_4$ state at the expense of $^5D_3$. It is also found that this interaction is predominantly dipole-dipole transition with critical distance of 13 A. The critical distance for energy transfer $^5D_4$$^5D_4$ which is responsible for the quenching of 5D4 emission at high concentratron of Tb3+ ions is 4.5 A.

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Design of Frequency Reconfigurable Antenna with the Vertically Stacked Dipole Structure (수직 적층형 다이폴 구조를 갖는 주파수 재구성 안테나 설계)

  • Jung, Young-Jin;Hong, Ic-Pyo;Eom, Soon-Young
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.22 no.5
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    • pp.552-559
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    • 2011
  • In this paper, the frequency reconfigurable antenna is proposed and designed. The proposed antenna is designed using the vertically stacked dipole structures and have the operating band for Cellular, PCS/WCDMA/Wibro/WiFi and WiMAX. The operating frequency band is selected by three pair of PIN diodes using the voltage difference between each dipole antenna and feeding transmission lines. The proposed antenna meets the required operating bandwidth and the maximum gain for each frequency band are measured as 6.3 dBi, 5.4 dBi and 5.8 dBi, respectively. The proposed antenna in this paper can be applied for the future mobile small base station or repeater antenna because this antenna can provide the small size and high gain features.

Dissociation Energies and Dipole Moments of Alkali Halides (할로겐화 알칼리 화합물의 해리에너지 및 이중극자 모멘트 계산)

  • Rhee, Chang Hwan
    • Journal of the Korean Chemical Society
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    • v.41 no.9
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    • pp.449-459
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    • 1997
  • The bonded state polarizabilities of ions in the alkali halides are estimated by using the Seitz and Ruffa (SR) energy level analysis relation. The effective number of electrons $(N_{eff})$ in the Slater-Kirkwood formula are used for all members of an isoelectronic sequence. The effective dispersion coefficients $(C_6^{eff})$ are calculated by the use of the empirical formula (J. Chem. Phys. 1991, 95, 1852) estimating $(N_{eff})$ values to reproduce the experimental $(C_6^{eff})$ for atom-atom (or molecule) interactions. In the framework of the T-Rittner model the model potential is constructed and used to calculate the values of dissociation energy and dipole moment. The results obtained in the present study are in good agreement with the experiment one.

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The Structure and Energy of D-Sorbitol from an Empirical force-Field (Empirical Force-Field 방법에 의한 D-Sorbitol 의 구조와 에너지에 관한 연구)

  • Park Young Ja
    • Journal of the Korean Chemical Society
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    • v.29 no.2
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    • pp.104-110
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    • 1985
  • Empirical force-field method has been applied to D-sorbitol, the crystal structure of which has been studied by the single crystal X-ray and neutron diffraction analyses. The calculated C-C bond lengths agree with those observed within 0.009${\AA}$. The C-O bond lengths show a larger deviation of 0. 023${\AA}$. The calculated C-C-C and C-C-O valence angles agree with those observed within $2.3^{\circ}$ and $1.9^{\circ}$respectively. Because torsion angles are influenced by packing forces, they show considerably flarger r. m. s. deviations. Calculations of the conformational energies of the model compound at selected C(1)-C(2)-C(3)-C(4) torsion angles made with the program MMI, produced result that the prediction of the observed preferred conformation of the carbon chain appeares to be less satisfactory.

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QSPR analysis for predicting heat of sublimation of organic compounds (유기화합물의 승화열 예측을 위한 QSPR분석)

  • Park, Yu Sun;Lee, Jong Hyuk;Park, Han Woong;Lee, Sung Kwang
    • Analytical Science and Technology
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    • v.28 no.3
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    • pp.187-195
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    • 2015
  • The heat of sublimation (HOS) is an essential parameter used to resolve environmental problems in the transfer of organic contaminants to the atmosphere and to assess the risk of toxic chemicals. The experimental measurement of the heat of sublimation is time-consuming, expensive, and complicated. In this study, quantitative structural property relationships (QSPR) were used to develop a simple and predictive model for measuring the heat of sublimation of organic compounds. The population-based forward selection method was applied to select an informative subset of descriptors of learning algorithms, such as by using multiple linear regression (MLR) and the support vector machine (SVM) method. Each individual model and consensus model was evaluated by internal validation using the bootstrap method and y-randomization. The predictions of the performance of the external test set were improved by considering their applicability to the domain. Based on the results of the MLR model, we showed that the heat of sublimation was related to dispersion, H-bond, electrostatic forces, and the dipole-dipole interaction between inter-molecules.

Studies on the Coordination of Acetamide to Rare Earth Metal Ion (Ln(II) (희토류 금속이온 (Ln(III))과 Acetamide 사이의 상호작용에 대한 연구)

  • Sang-Won Lee;Jeonga Yu;Chang-Ju Yoon;Yoo-Hyek Jun;Young-Sang Choi
    • Journal of the Korean Chemical Society
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    • v.36 no.2
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    • pp.205-211
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    • 1992
  • The $2{\nu}_{C=0}$ + amide III combination band spectrum of acetamide (AA) was obtained in very dilute solutions of AA+lanthanide shift reagents (LSR) in carbon tetrachloride over the range of $15^{\circ}$ to $45^{\circ}C$. It was found that only 1 : 1 AA-LSR complex is formed by the interaction between carbonyl oxygen of AA and central metal ion(Ln(Ⅲ)) in LSR. The thermodynamic parameters for Ln(III)${\cdot}$O=C bond were determined by computer analysis of concentration and temperature dependent spectra. ${\Delta}H^{\circ}$ for the coordination of AA to Eu$(dpm)_3$, Yb$(dpm)_3$, and Pr$(dpm)_3$ have been found to be -39.1, -28.4, and -25.5 kJ/mol, respectively. It has shown that this type of ion-dipole interaction is more than twice stronger compared to the dipole-dipole interaction in the amide linkage, and largely depending on the steric hindrence effect by the bulky dpm groups around central metal ion (Ln(III)) rather than the ionic potential effect of central metal ion itself.

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The Study of Near-field Scanning Microwave Microscope for the Nondestructive Detection System (비파괴 측정을 위한 근접장 마이크로파 현미경 연구)

  • Kim, Joo-Young;Kim, Song-Hui;Yoo, Hyun-Jun;Yang, Jong-Il;Yoo, Hyung-Keun;Yu, Kyong-Son;Kim, Seung-Wan;Lee, Kie-Jin
    • Journal of the Korean Society for Nondestructive Testing
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    • v.24 no.5
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    • pp.508-517
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    • 2004
  • We described a near-field scanning microwave microscope which uses a high-quality dielectric resonator with a tunable screw. The operating frequency is f=4.5 5GHz. The probe tip is mounted in a cylindrical resonant cavity coupled to a dielectric resonator We developed a hybrid tip combining a reduced length of the tapered part with a small apex. In order to understand the function of the probe, we fabricated three different tips using a conventional chemical etching technique and observed three different NSMM images for patterened Cr films on glass substrates. We measured the reflection coefficient of different metal thin film samples with the same thickness of 300m and compared with theoretical impedance respectly. By tuning the tunable screw coming through the top cover, we could improve sensitivity, signal-to-noise ratio, and spatial resolution to better than $1{\mu}m$. To demonstrate the ability of local microwave characterization, the surface resistance of metallic thin films has been mapped.

Basic theory of Dielectric Relaxation Spectroscopy and Studies of Electrolyte Structure (유전체 이완 분광법의 원리 및 이를 이용한 전해액 미시구조 연구)

  • Koo, Bonhyeop;Hwang, Sunwook;Lee, Hochun
    • Journal of the Korean Electrochemical Society
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    • v.22 no.2
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    • pp.53-59
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    • 2019
  • To examine the solution structure of electrolytes, it is very important to understand ion-ion and ion-solvent interactions. In this review, we introduce the basic principle of dielectric relaxation spectroscopy (DRS) and studies of electrolyte structure. DRS is a type of impedance method, which measures the dielectric properties of electrolytes over a high frequency domain at levels of tens of GHz. Therefore, DRS provides information on the different polar chemical species present in the electrolyte, including the type and concentration of free solvents and ion pairs with dipole moments. The information of DRS is complementary to the information of conventional analytical techniques (Infrared/Raman spectroscopy, nuclear magnetic resonance (NMR), etc.) and thus enables a broad understanding of electrolyte structure.