• Title/Summary/Keyword: dipole moment

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A Study on the Design of Nonlinear Wire Antennas with Ripple-Type Wide Band Characteristics for Improvement of Pulse Radiation Ability (펄스 복사 능력 개선을 위한 리플형 광대역특성을 갖는 비선형 와이어안테나 설계에 관한 연구)

  • Kim, Yeon-Seon;Park, Ui-Jun
    • Journal of the Institute of Electronics Engineers of Korea TC
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    • v.39 no.3
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    • pp.150-157
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    • 2002
  • A nonlinear shaping method for a wire antenna is presented to improve the limited pulse radiation ability due to the frequency characteristics with nulls which are found in the conventional straight or V antennas. The developed scheme is based on the minimization of frequency-dependence of the radiated electric field intensity over wide band, hence giving the ripple-type frequency characteristics. It is shown that the synthesized shape has more advantage in the case of shorter pulse. That is, we found that for shorter pulse exciting, the radiated peak value of the synthesized antenna is larger than that of the conventional linear antenna. The inverse discrete Fourier transform based on the moment method is used for the transient analysis of current distribution and far field electric field.

Molecular Orbital Interpretation on the Inhibitory Effect of the Ni(Ⅱ) Complexes with Polyamines and Imidazole Derivatives (Polyamine류와 Imidazole 유도체가 배위된 Ni(Ⅱ) 착물의 저해 효과에 관한 분자궤도함수론적 해석)

  • Kim, Jung-Sung;Song, Young-Dae
    • Journal of the Korean Chemical Society
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    • v.48 no.2
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    • pp.123-128
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    • 2004
  • Quantum chemical quantities, enthalpy of formation(${\Delta}H_f$), HOMO and LUMO energy, and dipole moment(${\mu}_D$) were acquired by AM1, PM3, and ZINDO/1 methods for polyamines and imidazole derivatives. The investigation of the inhibitory activity on some Ni(II) complexes with polyamines and imidazole derivatives is performed by ZINDO/1 calculations. It was found that experimental inhibitory activity(IA) appeared when the value of net charge and enthalpy of formation were over 0.03 and -300 eV, respectively for Ni(II) complexes. These results showed that the Ni(II) complexes have exception on the following very unstable compounds: square pyramidal [Ni(dpt)(tn)])]$^{2+}$(dpt=3,3'-diaminodipropylamine)(tn=1,3-diaminopropane) and distorted tetrahedral [Ni(N-PropIm))$_2$(NCS))$_2$](N-PropIm=N-Propylimidazole).

Energy Transfer Pathway in Luminescent Lanthanide Complexes Based on Dansyl-N-methylaminobenzoic Acid through Intramolecular Charge Transfer State for Near Infrared Emission

  • Roh, Soo-Gyun;Baek, Nam-Seob;Kim, Yong-Hee;Kim, Hwan-Kyu
    • Bulletin of the Korean Chemical Society
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    • v.28 no.8
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    • pp.1249-1255
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    • 2007
  • We have investigated the photophysical properties of dansyl-N-methylaminobenzoic acid (DABAH) as a ligand and its lanthanide (Ln3+)-cored complexes (Ln3+-(DABA)3(terpy)) in order to determine the main energy transfer pathway for sensitized near infrared emission of Ln3+ ions (Ln3+ = Nd3+ and Er3+) in Ln3+- (DABA)3(terpy). The fluorescence spectrum of DABAH shows a large Stokes shift with increasing solvent polarity. This large Stokes shift might be due to the formation of a twisted intramolecular charge transfer (TICT) state, as demonstrated by the large dipole moment in the excited state. It is in good agreement with the result that the phosphorescence even in the Gd3+-cored complex based on the DABAH ligand was not observed, maybe due to the highly forbidden character of the S1 → T1 transition in the DABAH ligand. A short decay component (ca. 1 ns) was observed in Er3+-(DABA)3(terpy) whereas the fluorescence lifetimes of DABAH and its Gd3+-(DABA)3(terpy) are observed about ~10 ns. The short component could be originated from the energy transfer process between the ligand and the Ln3+ ion. Based on the fluorescence of DABAH its Ln3+- (DABA)3(terpy), the sensitization of Ln3+ luminescence in the Ln3+-(DABA)3(terpy) takes place by the energy transfer via the TICT state of DABAH in the excited singlet state rather than via the excited triplet state.

A Study on the Electronic Properties and Electrochemical Behavior of Rare Earch Metal(Ⅲ) Complexes (Ⅲ) (희토류금속(Ⅲ) 착물들의 전자적 성질과 전기화학적 거동에 관한 연구 (Ⅲ))

  • Choe, Chil Nam;Son, Hyo Yeol
    • Journal of the Korean Chemical Society
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    • v.38 no.8
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    • pp.590-597
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    • 1994
  • The chemical behavior of the trivalent lanthanide$(Pr^{3+}, Eu^{3+}, Gd^{3+} 그리고 Yb^{3+})$complexes with organo-ligand (2,2,6,6-tetramethyl-3,5-heptanedione) has been investigated by the use of UV/Vis-spectrophotometric, magnetics, and electrochemical method. The two or three energy absorption bands are observed by the spectra of these complexes. The magnetitude of crystal field splitting energy, the spin pairing energy and bond stength was obtained from the spectra of the complexes. These are found to be localization, low-spin (or high-spin state, and strong bonding strength. The magnetic dipole moment are found to be diamagnetic complexes (or paramagnetic). The electrochemical behavior of complexes was observed by the use of cyclic voltammetry in aprotic media. These reduction peaks were irreversible two and three step reduction processes by electron transfer.

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Adsorption Mechanism of Solid Acid in Nonaqueous Solution (固體酸의 非水溶液에서의 吸着메카니즘에 관한 硏究)

  • Kwun, Oh-Cheun
    • Journal of the Korean Chemical Society
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    • v.9 no.4
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    • pp.185-189
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    • 1965
  • Korean acid clays and silica gel were put into action on benzene solution of dye, such as aniline yellow, o-nitro aniline and oil orange, and then the adsorptivity of dye in nonaqueous solution was measured, with the result that adsorptivity was greater with silica than acid clays and it had no relation to acidity. And when chemical compounds, such as amine, alcohol, halogen derivative, were added to each dye solution by 10%(in volume), the change of the adsorptivity of dye by solid acid(that is, the interfered adsorption rate) decreased in order of amine > alcohol > halogen derivative, and in homologue the smaller the molecular weight, the larger was the effect. So adsorption in nonaqueous solution was a selective adsorption of chemical compounds which contained negative groups such as amine and hydroxyl radicals, and it had no relation to surface tension and showed inverted phenomenon of Traube series. It is guessed that the inverted phenomenon (the interfered adsorption phenomenon) was due to the polar chemical adsorption between active $SiO_2$ which was an origin of solid acid and the adsorbed substances, considering that the order of inversion was nearly in accord with dipole moment of added solvents. The results of this study led to find adsorption mechanism and inverted phenomenon of Traube series in nonaqueous solution.

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A Study on the Dynamics Behavior of Fatty Acid Monolayers at the Air-Water Interface by Current-Measuring Technique (변위전류 측정기법에 의한 기수계면의 지방산 단분자막의 동적 거동에 관한연구)

  • Kim, D.K.;Lee, S.H.;Kang, Y.C.;Lee, S.I.;Kim, C.S.;Back, S.K.;Lee, K.S.
    • Proceedings of the KIEE Conference
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    • 2000.07c
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    • pp.1699-1701
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    • 2000
  • The dynamic behavior of fatty acid monolayers at the air-water interface was investigated using a displacement current-measuring technique coupled with the so-called Langmuir film technique and also the dipole moment of the acids was determined. The displacement current flowing though a short circuit wan generated only when induced charges on an electrode flowing though suspended in air was changed by monolayer compression. The displacement current measurement was found to be a very sensitive method used for a better understanding of the relationship between the structure and function of the monolayers placed on the water surface and it was also found to be a very useful method for detecting the dynamic motion of molecules in the entire range from the so-called gaseous state to solid state at the same time. In the paper investigate fatty monolayer dynamic state and electric property character. As result. Displacement current generate higher nearly distance electrodel and water surface. Also, Molecule behavior was found pocess active higher thermal.

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Comparisons of RCS Characteristic of Spherical Frequency Selective Surfaces with FSS Element Arrangement (FSS 단위셀 배열구조에 따른 구형 주파수 선택 구조의 RCS 특성비교)

  • Hong, Ic-Pyo;Lee, In-Gon
    • Journal of IKEEE
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    • v.16 no.4
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    • pp.328-334
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    • 2012
  • In this paper, we analyzed the electromagnetic characteristics of the spherical frequency selective surface with different arrangement of crossed dipole slot elements for reducing the RCS(radar cross section). The three dimensional MOM(method of moment) with RWG basis is used to analyze the proposed structure. To reduce the simulation time, we applied the BiCGSTab(Biconjugate Gradient Stabilized) algorithm as an iterative method and presented the comparison results with Mie's theoretical results for PEC sphere to show the validity of this paper. From the simulation results, the different arrangement of elements array showed the difference RCS that cannot be negligible. The arrangement method of element in frequency selective surface will be one of variables for the design of curved frequency selective structures.

A DFT Study on the Polarizability of Di-substituted Arene (o-, m-, p-) Molecules used as Supercharging Reagents during Electrospray Ionization Mass Spectrometry

  • Abaye, Daniel A.;Aniagyei, Albert;Adedia, David;Nielsen, Birthe V.;Opoku, Francis
    • Mass Spectrometry Letters
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    • v.13 no.3
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    • pp.49-57
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    • 2022
  • During electrospray ionization mass spectrometry (ESI-MS) analysis of proteins, the addition of supercharging agents allows for adjusting the maximal charge state, affecting the charge state distribution, and increases the number of ions reaching the detector thus, improving signal detection. We postulate that in di-substituted arene isomers, molecules with higher polarizability values should generate greater interactions and hence elicit higher signal intensities. Polarizability is an electronic parameter which has been demonstrated to predict many chemical interactions. Many properties can be predicted based on charge polarization. Molecular polarizability is a vital descriptor for explaining intermolecular interactions. We employed DFT (density functional/Hartree-Fock hybrid model, B3LYP)-derived descriptors and computed molecular polarizability for ten disubstituted arene reagents, each set made up of three (ortho, meta, para) isomers, with reported use as supercharging reagents during ESI experiments. The atomic electronic inputs were ionization potential (IP), electron affinity (EA), electronegativity (𝛘), hardness (η), chemical potential (µ), and dipole moment (D). We determined that the para isomers showed the highest polarizability values in nine of the ten sets. There was no difference between the ortho and meta isomers. Polarizability also increased with increasing complexity of the substituents on the benzene ring. Polarizability correlated positively with IP, EA, 𝛘, η, and D but correlated negatively with chemical potential. This DFT study predicts that the para isomers of di-substituted arene isomers should elicit the strongest ESI responses. An experimental comparison of the three isomers, especially of larger supercharging molecules, could be carried out to establish this premise.

Strategies to Design Efficient Donor-Acceptor (D-A) Type Emitting Molecules: Molecular Symmetry and Electron Accepting Ability of D-A Type Molecules

  • Hyun Gi Kim;Young-Seok Baek;Sung Soo Kim;Sang Hyun Paek;Young Chul Kim
    • Applied Chemistry for Engineering
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    • v.34 no.6
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    • pp.633-639
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    • 2023
  • We synthesized 2-(10-methyl-10H-phenothiazin-3-yl)-5-phenyl-1,3,4-oxadiazole (MPPO) and 5,5-(10-methyl-10H-phenothiazin-3,7-diyl)-bis-(2-phenyl-1,3,4-oxadiazole) (DPPO). MPPO has both electron-donating and electron-accepting substituents with asymmetric molecular geometry. By incorporating one extra electron-accepting group into MPPO, we created a symmetric molecule, which is DPPO. The optical and electrochemical properties of these compounds were measured. The lowest unoccupied molecular orbital (LUMO) level of DPPO was lower than that of MPPO. The excited-state dipole moment of DPPO, with symmetric geometry, was calculated to be 4.1 Debye, whereas MPPO, with asymmetric geometry, had a value of 7.0 Debye. The charge-carrier mobility of both compounds was similar. We fabricated non-doped organic light-emitting diodes (OLEDs) using D-A type molecules as an emitting layer. The current efficiency of the DPPO-based device was 7.8 cd/A, and the external quantum efficiency was 2.4% at 100 cd/m2, demonstrating significantly improved performance compared to the MPPO-based device. The photophysical and electroluminescence (EL) characteristics of the two D-A type molecules showed that molecular symmetry, as well as the lowered LUMO level of DPPO, played critical roles in the enhancement of EL performance.

Effect of Initial Adsorbed Amount, Temperature, and pH on the Desorption of Phenol from Activated Carbon by Organic Solvents (초기 흡착량, 온도, pH가 활성탄 피흡착물인 페놀의 유기용매 탈착에 미치는 영향에 대한 연구)

  • Kim, Seungdo;Oh, Young-Jin
    • Journal of Korean Society of Environmental Engineers
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    • v.22 no.11
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    • pp.1985-1994
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    • 2000
  • This research was designed to investigate the effect of initial adsorbed amount of phenol, temperature, and pH on the desorption reaction of phenol from spent activated carbon loaded with phenol. Methanol, acetone, and N,N-dimethylformamide( DMF) were used as test organic solvents. The initial adsorbed quantities of phenol investigated here were 166.1mg/g, 180.7mg/g, and 197.9mg/g. The effect of temperature was evaluated from 15 to $55^{\circ}C$ with an interval of $10^{\circ}C$, while that of pH was investigated under acidic. neutral. and alkaline conditions. The extent of phenol desorption was proportional to the strength of dipole moment such as methanol < acetone < DMF. Over 90% desorption of phenol was achieved by acetone and DMF. The quantity of des orbed phenol by the organic solvents decreases with increasing the initial adsorbed amount of phenol. DMF is affected least by the initially adsorbed amount of phenol. An increase in reaction temperature leads to higher desorption of phenol. Desorption reaction by methanol is most sensitive to the temperature. As the pH of solvents increases. the desorption rate is also increasing. At pH=12. the desorption rate of phenol by methanol increases sharply by 10%. Although methanol demonstrated the weakest desorption power. the desorption capacity of methanol would approach that of acetone and DMF by adjusting temperature and pH. Methanol may emerge as a promising solvent for removing phenol from activated carbon because of acceptable regeneration efficiency as well as relatively cheap price.

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