• Title/Summary/Keyword: G2-phase

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Transmission of Substituent Effects through 5-Membered Heteroaromatic Rings

  • Lee, Ik Hun;Ri, Sun Gi;Kim, Chang Gon;Jeong, Dong Su;Kim, Chan Gyeong
    • Bulletin of the Korean Chemical Society
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    • v.21 no.9
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    • pp.882-890
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    • 2000
  • Ab initio calculations are carried out on protonation equilibria of 5-memberedheteroaromatic aldehydes (5MHAs;heteroatom Y = NH, O, PH,and S and substituentZ = NH2, OCH3, SCH3, CH3, H, Cl, CHO, CN,NO2) at the $MP2}6-31G*$ level. Naturalbond orbital (NBO) analyses show that the optimal localized natural Lewis structures of the protonated aldehydes,(P), are ortho (C3) protonated (for Y = O, PH and S) and N-pro-tonated (for Y = NH) forms in contrast to the standard structural Lewis formula for aldehydes, (R). The delo-calizability of ${\pilone}-pairon$ the heteroatom $(n{\pi}(Y))$ is in the order Y = NH > O > S > PH. The transmission efficiency of (Z) substituent effects to the carbonyl moiety run parallel to the delocalizability of $n{\pi}(Y)$ for R,but is dominantly influenced by the cationic charge on $C{\alpha}(C{\alpha}+)$ for P, which is in the reverse order of thede-localizability of $n{\pi}(Y).$ The Hammett ${\rho}values$ for variation of Z in the protonation are determined by the dif-ference in the transmission efficiencies between Pand R stateat simple interpretation of their magnitude is not warranted. However,the magnitude of the gas-phase ${\rho}z+$ values decreases as the level ofcomputation is raised from RHF/3-21G* to RHF/6-31G* and to $MP2}6-31G*$ but increases again at the MP4SDQ/6-31G* level. Further decrease occurs when solvent effect (water) is accounted for by the SCRF method. Comparison of the SCRF ${\rho}z+values$ with those determined in the aqueous acid solution for Y = S and CHCH shows inadequacy of accounting for the solvent effects on the ${\rho}values$ by a continuum model. It is noteworthy that semiempirical calculations, especially theAM1 method, give even lower magnitude of the gas-phase ${\rho}values.

Recovery of Li from the Lithium Containing Waste Solution by D2EHPA (리튬함유 폐액으로부터 D2EHPA에 의한 리튬의 회수)

  • Ahn, Hyo-Jin;Ahn, Jae-Woo;Lee, Ki-Woong;Son, Hyun-Tae
    • Resources Recycling
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    • v.23 no.5
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    • pp.21-27
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    • 2014
  • A study on the solvent extraction for the recovery of Li from lithium-containing waste solution was investigated using $D_2EHPA$ as an extractant. The experimental parameters, such as the pH of the aqueous solution, concentration of extractant and phase ratio were observed. Experimental results showed that the extraction percentage of Li was increased with increasing the equilibrium pH. More than 50% of Li was extracted in eq. pH 6.0 by 20% $D_2EHPA$. From the analysis of McCabe-Thiele diagram, 95% of Li was extracted by four extraction stage at phase ratio(O/A) of 3.0. Stripping of Li from the loaded organic phases can be accomplished by sulfuric acid as a stripping reagent and 90 ~ 120 g/L of $H_2SO_4$ was effective for the stripping of Li. Finially, Li was concentrated about 11.85 g/L by continuous stripping process, and then lithium carbonate was prepared by precipitation method.

Phase Stability of Laser-ablated $SmBa_2Cu_3O_{7-y}$ thin Films Investigated by Raman Scattering Spectroscopy

  • Kim, G.;Jeong, A.R.;Jo, W.;Park, D.Y.;Cheong, H.;Tsukada, A.;Hammond, R.H.;Beasley, M.R.
    • Progress in Superconductivity
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    • v.11 no.2
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    • pp.141-146
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    • 2010
  • Phase stability diagram and boundary of a- and c-axis orientation of $SmBa_2Cu_3O_{7-y}$ (SmBCO) thin films grown by pulsed laser deposition (PLD) were reported with studies based on x-ray diffraction [1]. Four different samples are systematically analyzed: normal c-axis oriented orthorhombic $SmBa_2Cu_3O_{7-y}$, a-axis oriented $SmBa_2Cu_3O_{7-y}$, c-axis oriented orthorhombic $SmBa_2Cu_3O_{7-y}$ with $Sm_2BaCuO_5$ phase, and a mixture with c-axis oriented orthorhombic $SmBa_2Cu_3O_{7-y}$ and anomalously long-c tetragonal $SmBa_2Cu_3O_x$. Raman scattering spectroscopy equipped with polarization analysis elucidates the crystal orientation and the origin of the growth of the materials. It indicates that the technique can be used for quality control of conductor manufacturing processes as well as for enhancement of the materials properties.

Determination of Pyribencarb and Its Metabolite KIE-9749 in Agricultural Commodities by High-Performance Liquid Chromatography (액체크로마토그래피를 이용한 농산물중 pyribencarb와 대사물 KIE-9749의 잔류 분석법)

  • Kwon, Hyeyoung;Hong, Su-Myeong;Kim, Taek-Kyum;Kim, Hyung-Jin;Moon, Byeong-Chul;Kyung, Kee-Sung
    • The Korean Journal of Pesticide Science
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    • v.20 no.3
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    • pp.236-246
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    • 2016
  • The aim of this study was to develop an analytical method for the determination of pyribencarb and its metabolite KIE-9749 in agricultural commodities. The experiment was performed with a range of concentrations $0.05{\sim}2.5{\mu}g/g$ in apple, green pepper, potato, hulled rice, soybean, pear, peach, grape and cucumber. Each samples were extracted with acetone and cleaned by dichloromethane/saline water partition and purified with Florisil solid phase extraction (SPE) cartridge and aminopropyl SPE cartridge. Pyribencarb and KIE-9749 were separated and quantified by HPLC/UVD at 265nm using acetonitrile and water as mobile phase. The recoveries of pyribencarb and KIE-9749 were within 78.3~108.4% and 73.9~113.7% with RSD below 12.2% and 15.0%, respectively. The limits of quantification (LOQ) were both $0.05{\mu}g/g$. LC/ESI-MS/MS was optimized for confirmation of residue identity.

Preparation and Magnetic Properties of Amorphous Spinel Ferrite (비정질 Spinel Ferrite의 제조와 그 자기적 특성)

  • 김태옥;김창곤
    • Journal of the Korean Magnetics Society
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    • v.2 no.1
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    • pp.29-36
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    • 1992
  • The fundamental research about the amorphous ferrite, which is expected as the important material for electronic and information imdustry in future, was carried out in this work. Because the ferromagnetic amorphous ferrites reported recently are very inferior in magnetic properties than the crystalline ferrites, the development of the more ferromagnetic amorphous ferrites is required. In order to obtain the fundamental data for the preparation of amorphous ferrites, the hand-made twin-roller quenching apparatus was used for rapid quenching. Investigation on amorphous ferrite in the system $CaO-Bi_{2}O_{3}-Fe_{2}O_{3}$ has been carried out in the composition of 10-50 mole% CaO, 10-50 mole% $Bi_{2}O_{3}$, 40-70 mole% $Fe_{2}O_{3}$. Large magnetization values were obtained near the composition of the mixture of $BiFeO_{3}$ and $CaFe_{4}O_{7}$. Especially, an amorphous ${(CaO)}_{20}{(Bi_{2}O_{3})_{15}{(Fe_{2}O_{3})}_{65}$ specimen has a magmetization value of about 21.84 emu/g at 0K(10 kOe). Fe $M\"{o}ssbauer$ absorption spectrum indicates that this specimen is compsed of two amorphous phases, antiferromagnetic phase($\alpha$-phase) and ferromagnetic phase($\beta$-phase). Crystallization of this amorphous ferrite was happened in steps-$550^{\circ}C$ and $775^{\circ}C$, then observed crystal phases were perovskite phase of $BiFeO_{3}$ and $Fe_{2}O_{3}$ phase.

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Dielectric Properties and an EPR Study of Cu- or Zr-Doped BaTiO₃ Ceramics

  • 이미녕;박윤창
    • Bulletin of the Korean Chemical Society
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    • v.16 no.10
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    • pp.908-911
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    • 1995
  • The EPR spectra of Cu-or Zr-doped BaTiO3 ceramics exhibited absorption signals with g∥=2.380 and g⊥=2.063 which are assigned to Ba1+(Ba2+ + e'→Ba1+) ion reduced by an electron that was produced from the oxygen vacancy (VO..). The intensity of these signals decreased as the temperature increased indicating that Ba1+ was changed to Ba2+ as the temperature increased. These ceramics also showed the EPR signal with g=1.997 around TC which arises from ionized Ba-vacancies, VBa'(VBa + e'→VBa'. In the orthorhombic and tetragonal phase region g=1.997 signal was not seen. The electrons generating from the oxidation of Ba1+ and ionized Ba-vacancies may contribute to a space charge which is responsible for a dielectric relaxation of these samples.

STUDY OF MAGNETISM IN THE LAYERED TRANSITION METAL COMPOUND ${(C_{n}H_{2n+1}NH_{3})}_{2}CuCl_{4}\;(n=10,\;14)$

  • Lee, C.H.;Lee, K.W.;Lee, Cheol-Eui;Kang, J.K.
    • Journal of the Korean Magnetics Society
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    • v.5 no.5
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    • pp.358-361
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    • 1995
  • We have investigated the quasi-two-dimensional magnetism for the layered transition metal compound (C/sub n/H/sub 2n+1/NH/sub 3/)/sub 2/CuCl/sub 4/ (n=10, 14) in the high temperature regions by means of EPR (Electron Paramagnetic Resonance) and SQUID measurements. As a result, the magnetic transitions were reflected in the EPR linewidths and the magnetic suceptibilities in a sensitive manner. Fluctuations of the magnetic susceptibility and a similar variation of the .DELTA. g =(g/sub .parallel. -/g/sub .perp. /)g/sub .parallel. / value were also observed around the structural phase transition temperatures.

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