• Bulletin of the Korean Chemical Society
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• 제18권1호
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• pp.14-18
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• 1997

Sulconazole nitrate, C18H16Cl3N3O3S, crystallizes in monoclinic, space group C2/c, with a=14.401(1), b=8.051(1), c=34.861(2) Å, β=95.9(1)°, g=0.58 mm-1, Dc=1.523 g/cm3, Dm=1.522 g/cm3, F(000)=1888.0, and z=8. Intensities for 2460 unique reflections were measured on a CAD4 diffractometer with graphited-monochromated Mo-Kα radiation. The structure was solved by direct method and refined by full matrix least squares to a final R=0.071 for 2182 reflections (Io > 2σIo). The bond lengths and angles are comparable with the values found in the analogues imidazole derivatives. The 2,4-dichlorophenyl ring(A) and the p-chlorophenyl ring(B) are almost planar with different heights [dihedral angle 17.3°] while the imidazole ring(C) is nearly perpendicular to the two phenyl rings[dihedral angles about the two rings A, B are 110.8° and 96.1° respectively]. In order to understand the overall conformation we calculated the selected distances (l1, l2, l3) among the center of the three rings and considered the imaginary plan D[C(7), C(9) and C(16)]. The two polar group S(8) and N(19) do not have gauche conformation and l2 value (4.47 Å) is shorter than the other imidazole derivatives. One -NO3 group are hydrogen bonded the two neighbored sulconazole molecules. The molecular crystal packing is also formed by two hydrogen bondings and van der Waals forces.

• 한국수소및신에너지학회논문집
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• 제14권2호
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• pp.155-170
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• 2003

$Cu-Ce/{\gamma}-Al_2O_3$ based catalysts were prepared and tested for selective oxidation of CO in a $H_2$-rich stream(1% CO, 1% $O_2$, 60% $H_2$, $N_2$ as balance). The effects of Cu loading and weight ratio(=Cu/(Cu+Ce)) upon both activity and selectivity were investigated upon the change in temperatures, It was also examined how the activity and selectivity of catalysts were varied with the presence of $CO_2$ and $H_2O$ in the reactant feed. Among the various Cu-Ce catalysts with different catalytic metal composition, Cu-Ce(4 : 16 wf%) /${\gamma}-Al_2O_3$ catalyst showed the highest activity(>$T_{99}$) and selectivities(50-80%) under wide range of temperatures($175-220^{\circ}C$). However, in the Cu-Ce(4 : 16 wt%)/ ${\gamma}-Al_2O_3$, the presence of $CO_2$ and $H_2O$ in the reactant feed decreased the activity and the maximum activity(>$T_{99}$) in terms of reaction temperature moved by about $25^{\circ}C$ toward higher temperature, the $T_{>99}$ window was seen between $210-230^{\circ}C$ (selectivity 50-75%). From $CO_2-/H_2O-TPD$, it can be concluded that the main cause for the decrease in catalytic activity may be attributed to the blockage of the active sites by competitive adsorption of water vapor and $CO_2$ with the reactant at low temperatures.

• 한국결정학회지
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• 제1권1호
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• pp.14-18
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• 1990

Econazole nitrate, 1-{2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl) ethy1}-1H-imidazole mono-nitrate, C18 H16 CI13 N3 O4의 단위세포 상수는 a=19.337(4) A, b=15.191(5) A c=7.601(3)A, β=91.72(2)μ V=2000.0A3 Do=1.49g/ml Dm=1.47g/ml, M=4.31cm-1 F(000)=912.0, 2T=298K,공간군은 P2₁/C이고 단사 정계이며 Z=4이다. λ=(Mo-Ka)=0.7107 A을 사용한 1330개의 Intensity data에 대해 최종 R값은 0.06이다. Econazole nitrate의 각 세 ring은 각각 평면이며 B,A,C ring순서로 층계를 이루고 있다. 반면에 Econazole의 A와 C ring은 거의 같은 평면에 누워 있으나 B ring 은 거의 같은 평면이며 B,A,C ring순서로 층계를 이루고 있다.반면에 Econazole의 A와 C ring은 거의 같은 평면에 누워있으나 B ring과는 약 60˚의 평면각을 이루고 있다. Nitrate의 O(*3)와 Imidaze의 N(2) 사이의 수소결합은 Econazole slt의 안정화에 기여한다.

• 한국결정학회지
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• 제7권2호
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• pp.105-112
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• 1996

Tetra-tert-butyl-dipropionyloxy-dihydroxycalis[4]arene (C50H64O6)의 구조를 X-선 회절법으로 연구하였다. 결정의 공간군은 C2/c이다. 단위세포 상수는 a=16.067(2), b=26.391(17), c=10.335(1)Å, β=94.26(1)°, Z=4, V=4370.2(29)Å3, Dc=1.16, Dm=1.2 gcm-3이다. 회절반점들의 세기는 Enraf-Nonius CAD-4 Diffractometer로 얻었으며, Cu-Kα radiation (λ=1.5418Å)을 사용하였다. 분자구조는 직접법으로 풀었으며 최소 자승법으로 정밀화하였다. 최종 신뢰도 R값은 2354개의 회절반점에 대하여 0.07이였다. 이 Calix[4]arene은 1, 3-alternate conformation을 가진 분자로 2개의 propionyloxy groups이 위쪽에 있고, 마주보는 두 개의 hydroxy groups이 아래로 향해 있으며, 분자 한 가운데에 결정학적 symmetry axis와 일치하는 2-fold symmetry axis가 있는 분자이다.

• 한국광물학회지
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• 제15권3호
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• pp.161-169
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• 2002

고온-고압 상태에서 티탄철석 ($FeTiO_3$)의 상변이에 대한 연구가 있었으나, 그 결과는 서로 일치하지 않고 있다. 특히, 티탄철석상과 페롭스카이트상의 상변이 경계는 담금방법에 의해 결정된 것으로 신뢰도에 의문이 제기되고 있다. 이러한 문제를 해결하기 위해, 고온-고압 현장상태에서 라지 볼륨 기기와 방사광을 이용하여 19 GPa와 $700^{\circ}C$의 범위에서 X선 회절실험을 시행하였다. 이러한 실험결과, 페롭스카이트상은 상온에서 16 CPa 이상의 압력에서 안정하며, 15 CPa 근처에서 $LiNbO_3$상으로 변이한다. 또한 이 두 고온-고압상은 $500^{\circ}C$에서는 순간적인 상변이를 하고 있다. $LiNbO_3$상은 각각 13 CPa 및 300'E와 10.8 GPa 및 400'E에서 티탄철석상으로 상변이 한다. 따라서 본 실험결과는 $LiNbO_3$상은 고온-고압하에서 안정 영역을 확보하고 있으며, 페롭스카이트-티탄철석상경계는 이전에 발표된 결과와는 매우 다르다는 것을 지시해주고 있다.

• Bulletin of the Korean Chemical Society
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• 제12권2호
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• pp.130-137
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• 1991

The following new cryptand 221 complexes of lanthanides(Ⅲ) and dioxouranium(Ⅵ) nitrate have been synthesized: $(Ln(C_{16}H_{32}N_2O_5)(H_2O)_2(NO_3)_3\ and \((UO_2)_2(C_{16}H_{32}N_2O_5)(H_2O)_4(NO_3)_4$. These complexes have been identified by elemental analysis, moisture titration, conductivity measurements and various spectroscopic techniques. The proton and carbon-13 NMR as well as calorimetric measurements were used to study the interaction of cryptand 221 with La(Ⅲ), Pr(Ⅲ ), Ho(Ⅲ) and $UO_2(Ⅱ)$ ions in nonaqueous solvents. The bands of metal-oxygen atoms, metal-nitrogen atoms and O-U-O in the IR spectra shift upon complexation to lower frequencies, and the vibrational spectra ({\delta}NMN$) of metal-amide complexes in the crystalline state exhibit lattice vibrations below 300 $cm^{-1}$. The NMR spectra of the lanthanides(Ⅲ) and dioxouranium(Ⅵ) nitrate complexes in nonaqueous solvents are quite different, indicating that the ligand exists in different conformation, and also the $^1H$ and $^{13}C-NMR$ studies indicated that the nitrogen atom of the ring has greater affinity to metal ions than does the oxygen atom, and the planalities of the ring are lost by complexation with metal ions. Calorimetric measurements show that cryptand 221 forms more stable complexes with $La^{3+}$ and $Pr^{3+}$ ions than with $UO^{22+}$ ion, and $La^{3+}/Pr^{3+}$ and $UO^{22+}/Pr^{3+}$ selectivity depends on the solvents. These changes on the stabilities are dependent on the basicity of the ligand and the size of the metal ions. The absorption band (230-260 nm) of the complex which arises from the direct interaction of macrocyclic donor atoms with the metal ion is due to n-{\delta}*$ transition and also that (640-675 nm) of $UO^{22+}$-cryptand 221 complex, which arises from interaction between two-dioxouranium(Ⅵ) ions in being out of cavity of the ligand ring is due to d-d* transition.

• 한국세라믹학회지
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• 제15권1호
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• pp.16-20
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• 1978

The solubility of tobermorite was measured, and it was compaired with the resultswhich calculated by thermodynamic data. As the result, 1) The type of silisic acid species in liquid phase were the both type of $H_3SiO_4$-, $H_4SiO_4$. 2) The solubility product of tobermorite represented the maximum value at 18$0^{\circ}C$.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2002년도 춘계학술대회 논문집 유기절연재료 전자세라믹 방전플라즈마 일렉트렛트 및 응용기술
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• pp.67-70
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• 2002

The composites were fabricated 61vol% ${\beta}$-SiC and 39vol.% $TiB_2$ powders with the liquid forming additives of 8, 12, 16wt% $Al_2O_3+Y_2O_3$ by pressureless annealing at $1650^{\circ}C$ for 4 hours to form YAG. The result of phase analysis of composites by XRD revealed ${\alpha}$-SiC(6H), $TiB_2$, and YAG($Al_5Y_3O_{12}$) crystal phase. The relative density and the Young's modulus showed the highest value of 82.29% and 54.60 Gpa for composites added with 16wt% $Al_2O_3+Y_2O_3$ additives at room temperature.

• 전기화학회지
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• 제13권2호
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• pp.103-109
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• 2010

$LiNO_3$, $Li(CH_3COO){\cdot}2H_2O$ 그리고 $Mn(CH_3COO)_2{\cdot}4H_2O$를 출발물질로 하여 $Li_4Mn_5O_{12}$를 합성 하였으며 합성방법은 연소합성법을 사용하였다. $Li_4Mn_5O_{12}$는 $400^{\circ}C$ 이상의 열처리 온도에서 얻을 수 있었으나 $400^{\circ}C$로 열처리 하였을 때 $Mn_2O_3$가 같이 존재하는 것을 관찰할 수 있었다. $400^{\circ}C$에서 5시간동안 열처리한 $Li_4Mn_5O_{12}$를 3.7~4.4 V의 전압범위에서 1C-rate로 충방전 하였을 때 가장 좋은 첫 번째 방전용량(41.5 mAh/g)을 나타내었다. 이것을 하이브리드 커패시터에 적용하였을 때 100 mA/g의 전류밀도에서 24.74 mAh/g (10.46 mAh/cc)의 방전용량을 나타내었으며 이때의 에너지 밀도는 39 Wh/kg (16.49Wh/cc)으로 우수하였다.

• 한국환경농학회지
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• 제11권3호
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• pp.225-234
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• 1992

Thermal decomposition was conducted to investigate the influence of the various factors on stability of a new insecticide, [O, O-Diethyl O-(1-phenyl-3-trifluoromethyl-5-pyrazoyl) thiophosphoric acid ester : KH-502], in view of those informations applicable for industrial exploitation. In the thermal decomposition experiment, KH-502 was, after mixing with Fe, Cu and adjustment of moisture and pH conditions, subjected to three temperatures, 25, 50, and $100^{\circ}C$. Results for stability, and degradation pattern of KH-502 from the above experiment can be summarized as follows: 1. Main products of the thermal decomposition when this was conducted in the closed system were identified as following five compounds:O, O, O-Triethylthiophosphoric acid(TEPA), 1-Phenyl-3-trifluoromethyl-5-ethoxypyrazole(PTMEP), 1-Phenyl-2-ethyl-3-trifluoromethyl-5-hydroxypyrazole(PETMHP), O, O-Diethyl O-(1-phenyl-3-trifluoromethyl-5-pyrazoyl)phosphoric acid ester(KH-502 oxo form), O, S-Diethyl O-(1-phenyl-3-trifluoromethyl-5-pyrazoyl)phospho rothiolate(S-ethyl KH-502). However, compounds such as oxo form and S-ethyl KH-502 were not identified when the thermal decomposition was proceeded in the open system. 2. KH-502 was stable at 25 and 50$^{\circ}C$, but it was decomposed at 100$^{\circ}C$ following the first-order kinetics at the early stages of decomposition. 3. Rate constants for the thermal decomposition of KH-502 at 100$^{\circ}C$ were in the orders of Cu powder addition 0.344>Cu plate addition 0.21>moisture addition 0.05>closed system=open system=iron addition=pH 5.5 adjustment 0.04>pH 8.5 adjustment 0.027 day$^{-1}$, representing KH-502 was decomposed fast at Cu powder treatment and slow at pH 8.5 adjustment. 4. Half-life for the thermal decomposition of KH-502 at 100$^{\circ}C$ was in the orders of Cu powder addition 2.02