• Title/Summary/Keyword: $C_3H_6$

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C-H···π and C-H···O Interactions in Coumarin 6 : 3-(2-benzothiazolyl)-7-(diethylamino)-coumarin

  • Li, Xiaochuan;Son, Young-A
    • Textile Coloration and Finishing
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    • v.22 no.2
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    • pp.83-87
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    • 2010
  • Crystal structure of coumarin 6 has been solved by X-ray diffraction. The crystals are triclinic, space group P-1, with a=8.823(2) ${\AA}$, b=8.898(2) ${\AA}$, c=11.025(9) ${\AA}$, ${\alpha}$=86.41(3)$^{\circ}$, ${\beta}$=85.39(3)$^{\circ}$, ${\gamma}$=76.23(3)$^{\circ}$, Mr=350.42, V=837.1(3) ${\AA}^3$, Z=2 and R=0.0516. The molecules are packed parallel to each other by weaker ${\pi}{\cdots}{\pi}$ and C-H${\cdots}{\pi}$ interactions. The detailed geometry of C-H${\cdots}{\pi}$ interactions were discussed. The hydrogen bonds and non-traditional C-H${\cdots}O$ interactions join the no-parallel molecules together. All the molecules packed wall-like with the molecular brick.

Electronic structures of Na adsorbed 6H-SiC(0001) $\sqrt{3}$$\times$$\sqrt{3}$ and 3$\times$3 surfaces

  • 조은상;임규욱;황찬국;김용기;이철환;박종윤;임규욱
    • Proceedings of the Korean Vacuum Society Conference
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    • 2000.02a
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    • pp.144-144
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    • 2000
  • 이전에 수행된 연구에서 표면에 수직하게 dangling bond를 가지는 adatom으로 장식된 6H-SiC(0001) {{{{ SQRT { 3} }}}}$\times${{{{ SQRT { 3} }}}} 표면은 단일 전자 모형으로는 설명되어지지 않는 반도체적 성질을 가지는 것으로 보고되어졌다. 최근의 많은 이론적, 실험적 결과는 이 표면이 Mott-Hubbard 모형으로 설명되어질 수 있음이 보고되어졌다. 이 표면에서 Si이 좀 더 풍부한 3$\times$3 표면의 여러 모형들에 대해 이론적, 실험적 연구는 Energy적으로 E-J 모형이 가장 안정하다고 보고하였다. E-J모형은 표면에 수직인 dagling bond를 가지며 6H-SiC(0001) {{{{ SQRT { 3} }}}}$\times${{{{ SQRT { 3} }}}} 표면에 비해 1/3배의 밀도를 지닌다. 또한 최근의 연구에서 3$\times$3 표면 또한 단일 전자모형은 이 표면의 반도체적 성질에 위배되며 Mott-Hubbard 모형으로 설명되어질수 있음이 보고되어졌다. 이러한 표면 위에 알칼리금속인 Na을 흡착시키면서 일함수의 변화와 Valence Band의 변화를 측정하였다. XPS를 이용하여 Na이 흡착되면서 발생되는 Si과 C의 내각준위의 변화를 측정하였다. 6-SiC(0001) {{{{ SQRT { 3} }}}}$\times${{{{ SQRT { 3} }}}} 과 3$\times$3 표면 구조 모델을 Na을 흡착한 6H-SiC(0001) {{{{ SQRT { 3} }}}}$\times${{{{ SQRT { 3} }}}} 과 3$\times$3 표면으로부터 측정한 UPS, XPS data들로부터 지금까지 제기되어 있는 각 재배열 구조 모형들을 비교 검토하였다.

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A Study on the Chemical Composition and Structure of Sludge, Compost and Charcoal (폐수처리 슬럿지와 퇴비 및 목탄의 화학적 특성과 구조에 관한 연구)

  • 임기표;위승곤
    • Journal of Korea Technical Association of The Pulp and Paper Industry
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    • v.35 no.1
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    • pp.27-32
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    • 2003
  • To understand the chemical structure of sewer sludge in comparison with commercial compost and charcoal used as a soil improver, it was carried out to analyse their ash contents and metal ions, and to elucidate the chemical structure of their residuals after a sequential treatment of alcohol-benzene(1:2) extraction in Soxhlet, 3% HCl reflux and 79% H₂SO₄ hydrolysis, using CHNS analyzer and solid C-13 NMR spectrometer. The results obtained were as follows: 1. Ash content of sludge was about 46% that is higher than those of compost (17%) and charcoal (4%). 2. The residual of sludge after a sequential treatment of HCl and H₂SO₄ hydrolyses had high ash content about 23%, too. 3. The sludge seems to be suitable to the soil improver because the content of heavy metal ions in sludge was near the compost and below the organic fertilizer standard. 4. Elemental composition of sludge residual after HCl-H₂SO₄ hydrolyes was C/sub 56/H/sub 91/O/sub 12/N₂S = (C/sub 6/H/sub 10/O/sub 5/)/sub 7/(C/sub 6/H₄)/sub 7/C₂H/sub 43/O₂N₂S, similar to C/sub 103/H/sub 122/O/sub 33/N/sub 6/S = (C/sub 6/H/sub 10/O/sub 5/)/sub 6/(C/sub 6/H₄)/sub 10/C/sub 7/H/sub 22/O₃N/sub 6/S of compost. 5. The sludge residual had proved to have both considerable aliphatic and aromatic groups, but the compost residual to have mainly aliphatic groups and the charcoal to have mainly aromatic groups, through the peak analysis of solid C-13 NMR charts. 6. So, the sewer sludge is proved to have a considerable amount of aromaticity like in woody biomass containing lignin.

Studies on genetic monitoring of inbred mice in conventional breeding unit (일반사육시설 마우스의 유전적 오염에 대한 실태조사 연구)

  • Lee, Heungshik S.;Kim, Chul-kyu
    • Korean Journal of Veterinary Research
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    • v.41 no.3
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    • pp.401-406
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    • 2001
  • These studies were carried out to survey the genetic contamination of six inbred mice (A, BALB/c, C3H, C57BL/6, CBA and KK) produced and supplied from the conventional breeding unit for improving the quality of mice as experimental animal. We examined alleles of five loci (Akp-1, Car-2, Hbb, Es-1 and Trf) by the use of biochemical markers with celluose acetate electrophoresis. As the results of test, BALB/c, A, C3H, C57BL/6, CBA and KK showed standard alleles in Akp-1, Car-2 and Hbb. But Es-1 of A and C57BL/6 and Trf of A, C3H, C57BL/6 and CBA did allelic divergence in loci. These results suggest that the colonies of A, C3H, C57BL/6 and CBA were genetically contaminated. Therefore, we recommend to eliminate the genetically contaminated mice thoroughly, to check on genetic monitoring regularly and to consider a counterpaln for improving the quality control as soon as possible.

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XRD study of the layered structure compounds [Zn${(H_2O)}_6$] (${(C_{n}H_{2n+1}SO_3)}_2$ (층상구조인 [Zn${(H_2O)}_6$ (${(C_{n}H_{2n+1}SO_3)}_2$ 화합물에 대한 X-선 회절 연구)

  • 박용준;박양순;이종규;박성훈;전태현;허영덕
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.10 no.4
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    • pp.318-323
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    • 2000
  • The intercalated compounds of alkylsulfonates into hydrated zinc were synthesized. From the high temperature powder X-ray diffraction (HTXRD), FT-IR, and molecular size, the temperature dependence of orientation for the intercalated alkylsulfonates were determined. In the temperatures range 1, alkylsulfonates were intercalated into hexa aqua zinc layer with the bilayer structure of $32.9^{\circ}$angle for ${Zn(H_2O_4]^{2+}[C_nH_{2n+1}SO_3]_2\;^-$. In the temperatures range 2, alkylsulfonates were intercalated into tetra aqua zinc layer with the bilayer structure of $55.2^{\circ}$angle for ${Zn(C_nH_{2n+1}SO_3)_2$. In the temperatures range 3, alkylsulfonates were directly bonded to zinc ion with the bilayer structure of $76.5^{\circ}$angle for ${Zn(C_nH_{2n+1}SO_3)_2$.

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A Study on Synthesis and Magnetic Properties of Soft Magnetic Materials Sintered at Low Temperature (저온 소결용 연자성 물질의 합성 및 자기적 특성 연구)

  • Koh Jae Gu
    • Resources Recycling
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    • v.12 no.6
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    • pp.13-18
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    • 2003
  • The initial NiCuZn synthetic ferrite were acquired from thermally decomposing the metal nitrates Fe($NO_3$)$_3$$9H_2$O, Zn($NO_3$)$_2$$6H_2$O, Ni($NO_3$3)$_2$$6H_2$O and Cu(NO$_3$)$_2$$3H_2$O at 1$50^{\circ}C$ for 24 hours and was calcined at $500^{\circ}C$. Each of those was pulverized for 3 and 9 hours in a steel ball mill and was sintered between $700^{\circ}C$ and $1,000^{\circ}C$ for 1 hour, and then their microstructures and magnetic properties were examined. We could make the initial specimens chemically bonded in liquid at the temperature as low as $150 ^{\circ}C$, by using the melting points less than $ 200^{\circ}C$ of the metal nitrates instead of the mechanical ball milling, then narrowed a distance between the particles into a molecular level, and thus lowed sintering temperature by at least $200 ^{\circ}C$ to $300^{\circ}C$ Their initial permeability was 50 to 490 and their saturation magnetic induction density and coercive force 2,400G and 0.3 Oe to 1.2 Oe each, which were similar to those of NiCuZn ferrite synthesized in the conventional process.

Biodegradation test of the alternatives of perfluorooctanesulfonate (PFOS) and PFOS salts (PFOS salts 및 PFOS 대체물질에 대한 미생물분해시험)

  • Choi, Bong-In;Na, Suk-Hyun;Son, Jun-hyo;Shin, Dong-Soo;Ryu, Byung-taek;Chung, Seon-yong
    • Journal of Environmental Health Sciences
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    • v.42 no.2
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    • pp.112-117
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    • 2016
  • Objectives: In this study, we investigated the biodegradation rates of 8 perfluorooctanesulfonate (PFOS) alternatives synthesized at the at Changwon National University in comparison to those of PFOS potassium salt and PFOS sodium salt. Methods: A biodegradability test was performed for 28 days with microorganisms cultured in the good laboratory practice laboratory at the Korea Environment Corporation following the OECD Guidelines for the testing of chemicals, Test No. 301 C Results: While $C_5H_8F_3SO_3K$, $C_8F_{17}SO_3K$ and $C_8F_{17}SO_3Na$ were not degraded after 28 days, the 3 alternatives were biodegraded at the rates of 31.4% for $C_8H_8F_9SO_3K$, 25.6% for $C_{10}H_8F_{13}SO_3K$, 23.6% for $C_{25}F_{17}H_{32}S_3O_{13}Na_3$, 20.9% for $C_{15}F_9H_{21}S_2O_8Na_2$, 15.5% for $C_{23}F_{18}H_{28}S_2O_8Na_2$, 8.5% for $C_{17}F_9H_{25}S_2O_8Na_2$ and 4.8% for $C_6H_8F_5SO_3K$. When the concentration was the same(500 mg/L), $C_{23}F_{18}H_{28}S_2O_8Na_2$ had the lowest tension with 20.94 mN/m, which was followed by $C_{15}F_9H_{21}S_2O_8Na_2$ (23.36 mN/m), $C_{17}F_9H_{25}S_2O_8Na_2$ (27.31 mN/m), $C_{25}F_{17}H_{32}S_3O_{13}Na_3$ (28.17 mN/m), $C_{10}H_8F_{13}SO_3K$ (29.77 mN/m) and $C_8H_8F_9SO_3K$ (33.89 mN/m). Having higher surface tension of 57.64 mN/m and 67.57 mN/m, respectively, than those of the two types of PFOS salts, $C_6H_8F_5SO_3K$ and $C_5H_8F_3SO_3K$ were found valueless as substitute for PFOS. Conclusion: The biodegradation test suggest that 6 compounds could be used as substitutes for PFOS. $C_{23}F_{18}H_{28}S_2O_8Na_2$ and $C_{15}F_9H_{21}S_2O_8Na_2$ were found to be the best substitutes based on biodegradation rate and surface tension, followed by $C_{25}F_{17}H_{32}S_3O_{13}Na_3$, $C_8H_8F_9SO_3K$ and $C_{10}H_8F_{13}SO_3K$. $C_{17}F_9H_{25}S_2O_8Na_2$ was found to have relatively low value as an alternative but it still had a potential to substitute the conventional PFOS.

Metal Complexes of Ambidentate Ligand (VIII). Ni (II) and Pd (II) Complexes of Isonitrosomethylacetoacetate Imines (Ambidentate 리간드의 금속착물 (제 8 보). Isonitrosomethylacetoacetate Imine 리간드의 니켈(II) 및 팔라듐(II) 착물)

  • Bon-Chang Goo;Gang-Yeol Choi;Man-Ho Lee;In-Whan Kim
    • Journal of the Korean Chemical Society
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    • v.37 no.7
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    • pp.662-671
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    • 1993
  • New Ni(II) and Pd(II) complexes of isonitrosomethylacetoacetate imine derivatives, Ni(IMAA-NH)(IMAA-NH'), Ni(IMAA-NH)(IMAA-NR), $Pd(IMAA-NH)_2\;and Pd(IMAA-NR)_2(R=CH_3,\;C_2H_5,\;n-C_3H_7,\;n-C_4H_9,\;or\;CH_2C_6H_5)$, where H-IMAA-NH and H-IMAA-NR represent isonitrosomethylacetoacetate imine and N-alkylisonitrosomethylacetoacetate imine derivative, respectively, have been prepared and the structures of the complexes have been studied by elemental analyses, electronic, infrared, and $^1H-\;and\;^{13}C-NMR$ spectroscopies.

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Theoretical Studies on the Hydrogen Atom Transfer Reaction (Ⅱ)$^*$

  • Lee, Ik-Choon;Song, Chang-Hyun;Lee, Byung-Choon
    • Bulletin of the Korean Chemical Society
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    • v.6 no.6
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    • pp.362-366
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    • 1985
  • The hydrogen atom transfer reaction between substituted methane, $CH_3X,$ and its radical, $CH_2X(X=H,F,CH_3,CN,OH\;and\;NH_2$ was studied by MINDO/3 method. The transition state(TS) structure and energy barriers were determined and variation of the transition state and of the reactivity due to the change of X were analyzed based on the potential energy surface characteristics. It was found that the greater the radical stabilization energy. the looser the TS becomes; the TS occurs at about 15% stretch of the C-H bond, which becomes longer as the radical stabilization energy of $CH_2X$ increasers. The intrinsic barrier, ${\Delta}E*_{x.x},$ of the reaction with X was found to increase in the order $H The degree of bond stretch of the C-H bond stretch of the C-H bond at the TS also had the same order indicating that the homolytic bond cleavage of the C-H bond is rate-determining. Orbital interactions at the TS between LUMO of the fragment $C{\ldots}H{\ldots}C$ and the symmetry adapted pair of nonbonding, $n{\pm}(=n_1{\pm}n_2),$ or pi orbitals of the two X atoms were shown to be the dominant contribution in determining tightness or looseness of the TS. The Marcus equation was shown to apply to the MINDO/3 barriers and energy changes of the reaction.

A Study of CO, $C_{3}H_{6}$, and $SO_{2}$ oxidation for Diesel Emission Control over Pt, Pd, Pt-W and Pd-w Catalysts and their Characterization (디젤 자동차 배출 가스 저감을 위한 Pt, Pd 촉매의 특성 분석 및 W 첨가에 따른 CO, $C_{3}H_{6}$, $SO_{2}$ 산화 반응 활성에 관한 연구)

  • 임재영;김태원;정우식;김경림
    • Journal of Korean Society for Atmospheric Environment
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    • v.12 no.2
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    • pp.121-130
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    • 1996
  • The catalysts composed of Pt, Pd and W as active-components, $Al_{2}O_{3}$ and $SiO_{2}$ as supports, were perpared on the honeycomb type substrate and characterized by BET, SEM, TGA, FT-IR and XRD for diesel emission control. CO, $C_{3}H_{6}$, and $SO_{2}$ oxidation was carried out over these catalysts in a fixed bed continuous flow reactor at the temperatures between 100-500.deg.C and reactant gas was composed of 10 vol.% $O_{2}$, 1 vol.% CO, 0.8 vol.% $C_{3}H_{6}$ and 88.2 vol.% $N_{2}$. It was found that under these experimental conditions, the CO, $C_{3}H_{6}$ oxidation activity of Pt-W catalyst was higher than that of any other prepared catalyst, and this catalyst had also a good inhibition effect on $SO_{2}$ oxidation. Also it was show that the influence of $SO_{2}$ on $Al_{2}O_{3}$ was more sever than that of $SO_{2}$ on $SiO_{2}$.

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