• Journal of the Korean Chemical Society
• /
• 제50권1호
• /
• pp.46-52
• /
• 2006

studies of olefin oxidation using Al(III)-porphyrin complexes as catalyst are investigated in CH2Cl2, in which NaClO is used as terminal oxidant. Porphyrins are TPP(5,10,15,20-Tetraphenylporphyrin) and (p-X)TPP(X=CH3O, CH3, F, Cl). Olefins are styrene and (p-X)styrene (X=CH3O, CH3, Cl, Br). The values of Km and Vmax are calculated from the Michaelis-Menten equation. According to the substituents of substrate and catalyst, kinetic parameters will be measured. Investigating the correlation between the Michaelis-Menten rate parameters and the substituent constants, we were able to analyze the influence on the changes of catalytic activity or the rate determining step during the process of the formation and the dissociation of the M-oxo-olefin.

• Journal of the Korean Institute of Gas
• /
• 제14권3호
• /
• pp.1-7
• /
• 2010

According to Indoor Air Quality(IAQ) management law for multi-use buildings, SEEONE CO., Ltd. made pilot and tested it to remove minute particle, odor, VOCs, etc. within the standards of IAQ. This pilot made by SEEONE CO., Ltd. is vortex scrubber washing electrolyzed water. As 30 minutes test result in multi-use building indoor place, minute particle(the smoke of a cigarette) was reduced $920{\mu}g/m^3{\rightarrow}112{\mu}g/m^3$, gaseous contaminants was reduced Formaldehyde (HCHO) 20ppm$\rightarrow$4ppm, Ammonia($NH_3$) 50ppm$\rightarrow$1ppm, Trimethylamine ($(CH_3CH_2)_3N$) 15ppm$\rightarrow$trace, Methylethylketone($CH_3COC_2H_5$) 25ppm$\rightarrow$trace, Acetic acid ($CH_3COOH$) 20ppm$\rightarrow$trace, Acetaldehyde($CH_3CHO$) 15ppm$\rightarrow$2ppm and Acetone($CH_3COCH_3$) 50ppm$\rightarrow$N.D. The pilot test result of the air filter using electroyzed water in vortex scrubber showed high removal efficiency. Because purified air maintain indoor humidity of approximately 40~60%, so users can feel pleasant. In E.coli, S.aureus sterilization test and CODcr, turbidity treatment test by electrolysis, germs was sterilized over 99.99% and CODcr and turbidity was decreased gradually. So water used for washing can be reused by electrolysis.

• Journal of the Korean Chemical Society
• /
• 제55권3호
• /
• pp.405-411
• /
• 2011

The ab initio calculations for fluoromethyl fluoroperoxides have been carried out using MP2/6-311G(d,p) and B3LYP/6-311++G(d,p) method. The structural optimizations were performed for several isomers and conformers of methyl fluoroperoxide, $CH_3OOF$ and the vibrational frequencies were calculated. The most stable conformer of $CH_3OOF$ is skew form and has fairly short O-O bond distance. The trans and cis conformers have 8-12 kcal/mol higher energies than skew form and the other isomers are very unstable. The structures of $CH_2FOOF$, $CHF_2OOF$ and $CF_3OOF$ are also optimized and vibrational frequencies were calculated. These molecules also have skew forms as the lowest energy conformers. The O-O bond distances are longer and C-O bond distances are shorter than $CH_3OOF$, but the structural parameters are almost independent of the number of fluorine atoms in methyl group.

• Bulletin of the Korean Chemical Society
• /
• 제22권4호
• /
• pp.395-400
• /
• 2001

The effects of ortho- (R = H and CH3) and Y-substituents (Y = OCH3, CH3H and CN), which are directly attached to the carbonyl carbon, on the protonation equilibria of the para-X-substituted benzoyl derivatives, 4-X -2, 6-di-R-C6H2-C(=O)-Y, are investigated theoretically using the B3LYP method with 6-31+G* basis set. Structurally, both of the (B) and (BH+ ) forms in the species with R = H are nearly coplanar regardless of the Y-substituents implying that the steric repulsion between Y-substituent and R = H is relatively small. In the species with R = CH3 , the tortional angle (Θ) between the carbonyl moiety and aryl ring varies from zero to near right angle depending on the degree of steric repulsion between Y and R = CH3 and the resonance demand. However the reaction energies, ΔG°, for the protonation processes are more favorable for R = CH3 than for R = H due to stronger electron donating effect of R = CH3 , although the species with R = CH3 are unfavorable sterically. On the other hand, the Hammett type plots are progressively better correlated with б+ than with б values on going from Y = OCH3 to Y = CN for both species with R = H and CH3 indicating that the degree of resonance delocalization between carbonyl moiety and X-substituent is increased for a more electron accepting Y-substituent. Nevertheless the effects of R = CH3 on the magnitude of Hammett type reaction constants ( б or б+ ) are not much different from those of R = H.

• Transactions on Electrical and Electronic Materials
• /
• 제1권3호
• /
• pp.10-13
• /
• 2000

In this study the new photo-alignment material copoly(PM4Ch-ChMa)(copoly (poly (4-methancryloyloxy)chalcone-cholesteryl methacry late)) was synthesized, Also, the liquid crystal (LC) aligning capabilities and the electro-optical(EO) characteristics for the photo-aligned vertical-aligned(VA)-LC display(LCD) were studied. The monodomain alignment of the NLC for the photo-aligned VA-LCD by linearly polarized UB exposure on the Photo-dimerized copoly(PM4Ch-ChMA) surface was observed,. Excellent Voltage-transmittance characteristics for the VA-LCD photo-aligned by polarized UV exposure on the copoly (PM4Ch-ChMA) surfaces for 1 min was achieved. The response time of the VA-LCD photo-aligned by polarized UV exposure on the copoly (PM4Ch-ChMA) surfaces for 1 min was 39.3 ms, We suggest that the photo-dimerized chacone group increased with increasing UV exposure time, which then contributes to a low response time of the photo-aligned VA-LCD on the copoly (PM4Ch-ChMA) surfaces.

• Journal of the Korean Ceramic Society
• /
• 제40권8호
• /
• pp.758-764
• /
• 2003

The cylindrical ${\gamma}$-alumina pellets were prepared by forming, hydration, drying and calcination after mixing amorphous alumina and pore generating agent with water. Concentration of Fe(NO$_3$)$_3$ㆍ9$H_2O$ that was catalyst precursor was fixed and made mixing solution that changed concentration of $CH_3$COOH in range of 2.5~20%, and here ${\gamma}$-alumina pellets were immerged and were hydrothermaly treated for 3 h at $200^{\circ}C$. And then we investigated creation and change of crystal, pore characteristics, $N_2$ adsorption and desorption isotherms, changes of acid site and mechanical strengths etc. According to the concentration of $CH_3$COOH, the crystals grew to acicular shape of 0.5~2${\mu}m$ length, and crystal structure showed the pseudo-boehmite structure. When hydrothermaly treated in 10% $CH_3$COOH solution, pore volume between 100~1000 $\AA$ was highest by 0.86 cc/g, and width of hysteresis curved line due to $N_2$ adsorption/desorption appeared as was smallest. When concentration of $CH_3$COOH was in range of 5~15%, new C-H functional groups were formed. Mechanical strength of pellets was highest by 1.35 MPa when $CH_3$COOH concentration was 2.5%.

• Journal of the Korean Chemical Society
• /
• 제35권3호
• /
• pp.240-248
• /
• 1991

The regioselectivity in the nitrosation of seven N-methyl-N'-substituted phenylureas ($CH_3NHCONHC_6H_4-G$; G = H, p-CH$_3$, m-CH$_3$, m-CH$_3$O, p-F, m-F, m-Br) was examined using NaNO$_2$ and 4 different acids (diluted HCl, HCOOH, CH$_3$COOH, CF$_3$COOH). In all cases, the two regioisomeric products, N-nitroso-N-methyl-N'-substituted phenylureas (A) and N'-nitroso-N-methyl-N'-substituted phenylureas (B) were observed to be formed as major products and product ratios were determined by the integration of their methyl peaks in $^1$H-NMR. Electron donating substitutent(G) on phenyl of the ureas generally led to increase the ratio of B to A. The data have revealed that the relative sensitivity of the nitrosonium species (HONO, HCOONO, CH$_3$COONO, CF$_3$COONO) toward the change of electron density on nitrogen with phenyl substitutents are 1.00 : 0.93 : 0.78 : > ∼ 0.7.

• Bulletin of the Korean Chemical Society
• /
• 제26권1호
• /
• pp.43-46
• /
• 2005

Reaction energies were determined for reductive ring-opening reactions of Li$^+$-coordinated ethylene carbonate (EC) and vinylene carbonate (VC) by a density functional method. We have also explored the ring-opening of Li$^+$-EC and Li$^+$-VC by reaction with a nucleophile (CH$_3$O$^-$.) thermodynamically. Our thermodynamic calculations led us to conclude that the possible reaction products are CH$_3$OCH$_2$CH$_2$OCO$_2$Li (O$_2$-C$_3$ cleavage) for Li$^+$-EC +CH$_3$O$^-$., and CH$_3$OCHCHOCO$_2$Li (O$_2$-C$_3$ cleavage) and CH$_3$OCO$_2$CHCHOLi (C$_1$-O$_2$ cleavage) for Li$^+$-VC +CH$_3$O$^-$.. The opening of VC would occur at the C$_1$-O$_2$ side by a kinetic reason, although the opening at the O$_2$-C$_3$ side is more favorable thermodynamically.

• Bulletin of the Korean Chemical Society
• /
• 제5권1호
• /
• pp.3-16
• /
• 1984

The effect of solvent on the dipole moments for (chloromethyl) stannanes has been investigated by applying EHT calculation for the isomers of trigonal bipyramidal Sn(Ⅳ)$Cl_4X$ and $Cl_n$Sn(Ⅳ) $(CH_2Cl)_{4-n}$, octahedral Sn(Ⅳ)$Cl_42X$ and $Cl_nSn$(Ⅳ)$(CH_2Cl)_{4-n}$ 2X type complexes in dioxane and ethylacetate solutions (X: dioxane or ethylacetate). For Sn(Ⅳ)$Cl_4$ in dioxane solution, the calculated dipole moment for the trigonal bipyramidal Sn(Ⅳ)$Cl_4X$ type complex [isomer (b)] is closer to the experimental dipole moment than octahedral Sn(Ⅳ)$Cl_4X$2X type complexes. This calculated dipole moment suggests that Sn(Ⅳ)$Cl_4X$ may have the trigonal bipyramidal structure in dioxane solution. However, the calculated dipole moment for octahedral $Cl_3$Sn(Ⅳ) ($CH_2$Cl)2X type complex [Isomer (d)], ClSn(Ⅳ)(CH2Cl)32X type complex [Isomer(k)] and Cl2Sn(Ⅳ)(CH2Cl)22X type complex [Isomer(h)] are closer to the experimental dipole moments than other isomers for octahedral complexes and trigonal bipyramidal complexes. Such theoretical results indicate that $Cl_3Sn$(Ⅳ )($CH_2Cl$), ClSn(Ⅳ)$(CH_2Cl)_3$ and $Cl2Sn$(Ⅳ)$(CH_2Cl)_2$ complexes may have octahedral structures, Isomer(d), (k) and (h) in ethylacetate solution, respectively.

• Korean Journal of Materials Research
• /
• 제19권2호
• /
• pp.90-94
• /
• 2009

The development of low-k materials is essential for modern semiconductor processes to reduce the cross-talk, signal delay and capacitance between multiple layers. The effect of the $CH_4$ concentration on the formation of SiOC(-H) films and their dielectric characteristics were investigated. SiOC(-H) thin films were deposited on Si(100)/$SiO_2$/Ti/Pt substrates by plasma-enhanced chemical vapor deposition (PECVD) with $SiH_4$, $CO_2$ and $CH_4$ gas mixtures. After the deposition, the SiOC(-H) thin films were annealed in an Ar atmosphere using rapid thermal annealing (RTA) for 30min. The electrical properties of the SiOC(-H) films were then measured using an impedance analyzer. The dielectric constant decreased as the $CH_4$ concentration of low-k SiOC(-H) thin film increased. The decrease in the dielectric constant was explained in terms of the decrease of the ionic polarization due to the increase of the relative carbon content. The spectrum via Fourier transform infrared (FT-IR) spectroscopy showed a variety of bonding configurations, including Si-O-Si, H-Si-O, Si-$(CH_3)_2$, Si-$CH_3$ and $CH_x$ in the absorbance mode over the range from 650 to $4000\;cm^{-1}$. The results showed that dielectric properties with different $CH_4$ concentrations are closely related to the (Si-$CH_3$)/[(Si-$CH_3$)+(Si-O)] ratio.