• Title/Summary/Keyword: a-C:H:F

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DFT Study for Substitution Patterns of C20H18X2 Regioisomers (X = F, Cl, Br, or OH)

  • Hwang, Yong-Gyoo;Lee, Seol;Lee, Kee-H.
    • Bulletin of the Korean Chemical Society
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    • v.33 no.2
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    • pp.641-646
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    • 2012
  • We used the hybrid density-functional (B3LYP/6-31G(d,p)) method to analyze the substitution patterns of $C_{20}H_{18}X_2$ derivatives (X = F, Cl, Br, or OH) obtained as disubstituted $C_{20}H_{20}$ cages. Our results suggest that the cis-1 regioisomers (1,2-dihalo derivatives) are less stable than the trans-1 regioisomers (1,20-dihalo derivatives), whereas in the case of the dihydroxy derivatives, the cis-1 regioisomer is more stable than the trans-1 regioisomer. This implies that in the dihalo-induced strain cages of $C_{20}H_{18}X_2$, the strain effect would affect the relative energies, while in the dihydroxide, the hydrogen bonds have a stronger effect on the relative energies in cis-1 regioisomer than the strain effect do. Thus this supports the experimental result in which the bisvicinal tetrol was of particular preparative-synthetic interest as a substitute for the lacking bisvicinal tetrabromide. Further, the topologies of the HOMO and LUMO characteristics of all $C_{20}H_{18}Cl_2$ and $C_{20}H_{18}Br_2$ regioisomers with the same symmetry are same, but they are different from those of $C_{20}H_{18}F_2$ and $C_{20}H_{18}(OH)_2$. This indicates that the five regioisomers of each $C_{20}H_{20}$ disubstituted derivative will have an entirely different set of characteristic chemical reactions.

ON THE EXISTENCE OF POSITIVE SOLUTION FOR A CLASS OF NONLINEAR ELLIPTIC SYSTEM WITH MULTIPLE PARAMETERS AND SINGULAR WEIGHTS

  • Rasouli, S.H.
    • Communications of the Korean Mathematical Society
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    • v.27 no.3
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    • pp.557-564
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    • 2012
  • This study concerns the existence of positive solution for the following nonlinear system $$\{-div(|x|^{-ap}|{\nabla}u|^{p-2}{\nabla}u)=|x|^{-(a+1)p+c_1}({\alpha}_1f(v)+{\beta}_1h(u)),x{\in}{\Omega},\\-div(|x|^{-bq}|{\nabla}v|q^{-2}{\nabla}v)=|x|^{-(b+1)q+c_2}({\alpha}_2g(u)+{\beta}_2k(v)),x{\in}{\Omega},\\u=v=0,x{\in}{\partial}{\Omega}$$, where ${\Omega}$ is a bounded smooth domain of $\mathbb{R}^N$ with $0{\in}{\Omega}$, 1 < $p,q$ < N, $0{{\leq}}a<\frac{N-p}{p}$, $0{{\leq}}b<\frac{N-q}{q}$ and $c_1$, $c_2$, ${\alpha}_1$, ${\alpha}_2$, ${\beta}_1$, ${\beta}_2$ are positive parameters. Here $f,g,h,k$ : $[0,{\infty}){\rightarrow}[0,{\infty})$ are nondecresing continuous functions and $$\lim_{s{\rightarrow}{\infty}}\frac{f(Ag(s)^{\frac{1}{q-1}})}{s^{p-1}}=0$$ for every A > 0. We discuss the existence of positive solution when $f,g,h$ and $k$ satisfy certain additional conditions. We use the method of sub-super solutions to establish our results.

EVERY POLYNOMIAL OVER A FIELD CONTAINING 𝔽16 IS A STRICT SUM OF FOUR CUBES AND ONE EXPRESSION A2 + A

  • Gallardo, Luis H.
    • Bulletin of the Korean Mathematical Society
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    • v.46 no.5
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    • pp.941-947
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    • 2009
  • Let q be a power of 16. Every polynomial $P\in\mathbb{F}_q$[t] is a strict sum $P=A^2+A+B^3+C^3+D^3+E^3$. The values of A,B,C,D,E are effectively obtained from the coefficients of P. The proof uses the new result that every polynomial $Q\in\mathbb{F}_q$[t], satisfying the necessary condition that the constant term Q(0) has zero trace, has a strict and effective representation as: $Q=F^2+F+tG^2$. This improves for such q's and such Q's a result of Gallardo, Rahavandrainy, and Vaserstein that requires three polynomials F,G,H for the strict representation $Q=F^2$+F+GH. Observe that the latter representation may be considered as an analogue in characteristic 2 of the strict representation of a polynomial Q by three squares in odd characteristic.

ON LIFTING Cfk -STRUCTURES

  • Yeon Soo Yoon
    • Journal of the Chungcheong Mathematical Society
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    • v.36 no.4
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    • pp.297-305
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    • 2023
  • In this paper, we study some properties about Cfk-structures and obtain a sufficient condition to be lifting Cfk-structure, and using the above result, we can obtain a Stasheff's result about to be lifting H-structure as a corollary.

Fluorinated amorphous carbon thin films grown by plasma enhanced chemical vapor deposition with $C_4$F$_8$ and $Si_2H_6/He$ for low dielectric constant intermetallic layer dielectrics

  • Kim, Howoon;Shin, Jang-Kyoo;Kwon, Dae-Hyuk;Lee, Gil S.
    • Journal of Korean Vacuum Science & Technology
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    • v.7 no.2
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    • pp.33-38
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    • 2003
  • Fluorinated amorphous carbon thin films (a-C:F) for the use of low dielectric constant intermetallic layer dielectrics are deposited by plasma enhanced chemical vapor deposition with $C_4$F$_{8}$ and Si$_2$H$_{6}$/He gas mixture as precursors. To characterize and improve film properties, we changed various conditions such as deposition temperature, and RF power, and we measured the thickness and refractive indexes and FT-IR spectrum before and after annealing. At low temperatures the film properties were very poor although the growth rate was very high. On the other hand, the growth rate was low at high temperature. The growth rate increased in accordance with the deposition pressure. The dielectric constants of samples were in the range of 1.5∼5.5∼5.

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HDDM, a formula consisting of seven herbs, had anti-diabetic but no immunomodulatory activities in multiple low doses of streptozotocin-treated female of B6C3F1 mice

  • Zheng, Jian Feng;Guo, Tai L
    • Advances in Traditional Medicine
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    • v.9 no.1
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    • pp.20-38
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    • 2009
  • The objectives of this study were to determine the effect of herb formula HDDM, a modification of Huangdan decoction that has been shown to be effective in the treatment of glomerulonephritis and chronic renal failure, on the blood glucose levels in multiple low doses (MLD; 50 mg/kg for five consecutive days) of streptozotocin (STZ)-treated female B6C3F1 mice. Initial studies were performed to compare diabetes induction in five strains (e.g., B6C3F1, NOD, CD-1, C3H/HeN and C57BL/6) of mice by MLD-STZ, and immune changes following the treatment. The results suggested that the order of susceptibility to diabetes induction was NOD $\approx$ CD-1 > B6C3F1 $\approx$ C3H > C57BL/6. Furthermore, STZ modulation of T cell development, differentiation and activation might play a role in diabetes induction by MLD-STZ treatment. MLD-STZ-induced diabetes in female B6C3F1 mice was moderate, which allowed the evaluation of drug-induced protection or exacerbation of diabetes to be performed. As such, modulation of blood glucose by HDDM, which consisted of Da Huang (Radix Et Rhizoma Rhei), Huang Qi (Radix Astragali Seu Hedysari), Dan Shen (Radix Salviae Miltiorrhizae), Yin Yang Huo (Herba Epimedii), Yi Yi Ren (Semen Coicis or Coix lacryma-jobi), Mai Dong (Radix Ophiopogonis) and Shan Zhu Yu (Fructus Corni), was evaluated in MLD-STZ-treated female B6C3F1 mice. The results suggested that HDDM could lower the blood glucose levels, but it had no immunomodulatory activities. Additionally, HDDM-treated mice exhibited improved glucose tolerance. In conclusion, these studies have suggested that MLD-STZ-induced diabetes in female B6C3F1 mice is a useful model to evaluate drug modulation of diabetes, and that the herb formula HDDM possesses anti-diabetic effects.

The Study of Low Temperature $\muC-Si/CaF_2$/glass Film Growth using Buffer layer (Buffer layer 를 이용한 저온 $\muC-Si/CaF_2$/glass 박막성장연구)

  • 김도영;안병재;임동건;이준신
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1999.05a
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    • pp.589-592
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    • 1999
  • This paper describes direct $\mu$C-Si/CaF$_2$/glass thin film growth by RPCVD system in a low temperature for thin film transistor (TFT), photovoltaic devices. and sensor applications. Experimental factors in a low temperature direct $\mu$ c-Si film growth are presented in terms of deposition parameters: SiH$_4$/H$_2$ ratio, chamber total pressure, substrate temperature, rf power, and CaF$_2$ buffer layer. The structural and electrical properties of the deposited films were studied by means of Raman spectroscopy, I-V, L-I-V, X-ray diffraction analysis and SEM. we obtain a crystalline volume fraction of 61%, preferential growth of (111) and (220) direction, and photosensitivity of 124. We achieved the improvement of crystallinity and electrical property by using the buffer layers of CaF$_2$ film.

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The Crystal and Molecular Structure of 6-Ethyl-5,6-Dihydrouracil (6-에틸-5,6-디히드로우라실의 결정 및 분자구조)

  • An, Choong Tai
    • Journal of the Korean Chemical Society
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    • v.40 no.3
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    • pp.161-166
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    • 1996
  • 6-ethyl-5,6-dihydrouracil($C_6H_10N_2O_2$) is monoclinic, space group $$P2_{1}c}$$ with a=10.302(2), b=10.419(3), $c=7.095(1)\AA$, $\beta=106.6(0)$, Z=4, $V=729.7(3)\AA$^3$$, $D_c=1.29 g/cm^3,\;{\lambda}(MoK\alpha)=0.71073\AA$, $\mu=0.010cm^{-1}$, F(000)=304, and R=0.054 for 1070 unique observed reflection with F>4.0 $\sigma(F).$ The structure was solved by direct methods and refined by full-matrix least-squares refinement with the fixed C-H bond length at $0.96\AA.$ The hydrouracil molecule makes an envelope conformation with the ethyl substituent oriented to an axial position attainable to a varying degree of steric strain. There are two intermolecular hydrogen-bondings via N-H---O interactions, being nearly parallel to the 100 plane. The shortest distance between molecules is $3.187\AA$ of C(4) and O(8) (-x,-y, 1-z).

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Determination of trace impurities of HFC-134a by gas chromatograph with atomic emission detector (GC/AED) (GC/AED를 이용한 HFC-134a의 미량 불순물 분석)

  • Kim, Myeongja;Lim, Jeongsik;Lee, Jinbok;Lee, Jeongsoon
    • Analytical Science and Technology
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    • v.30 no.5
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    • pp.240-251
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    • 2017
  • 1,1,1,2-Tetrafluoroethane (HFC-134a), which is used as refrigerant in air conditioners, has been recently regulated as a greenhouse gas and is recommended for reuse by refining. It is very important to quantitatively analyze trace impurities present in the refrigerant to evaluate the criteria for reuse. In this study, trace impurities including C, H, Cl, and F, which are difficult to quantify because there are no reference materials, were quantitatively analyzed by a gas chromatograph-atomic emission detector (GC/AED); for this analysis, this was preceded by a qualitative analysis with a GC-mass selective detector (GC/MSD). In addition, the AED response was investigated using a hydrocarbon mixed reference material, which was proportional to the number of atoms in the component. Fifteen refrigerant components were detected as trace impurities in HFC-134a by qualitative analysis of trace impurities including C, H, Cl, and F in the samples. Based on the results of the qualitative analysis, quantitative analysis of trace impurities using AED showed that the highest mole fractions were for the $CHClF_2$ component ($45438.38{\mu}mol/mol$) in one sample and for the $C_2H_2ClF_3$ component ($1311.47{\mu}mol/mol$) in another sample. From this study, it has been shown that it is possible for this analytical method to be applied to the qualitative and quantitative analysis of trace compounds in refrigerants, which are difficult to quantify because of the absence of reference materials.

Refractive index control of F-doped SiOC : H thin films by addition fluorine (Fluorine 첨가에 의한 F-doped SiOC : H 박막의 저 굴절률 특성)

  • Yoon, S.G.;Kang, S.M.;Jung, W.S.;Park, W.J.;Yoon, D.H.
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.17 no.2
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    • pp.47-51
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    • 2007
  • F-doped SiOC : H thin films with low refractive index were deposited on Si wafer and glass substrate by plasma enhanced chemical vapor deposition (PECVD) as a function of rf powers, substrate temperatures, gas rates and their composition flow ratios ($SiH_4,\;CF_4$ and $N_2O$). The refractive index of the F-doped SiOC : H film continuously decreased with increasing deposition temperature and rf power. As $N_2O$ gas flow rate decreased, the refractive index of the deposited films decreased down to 1.3778, reaching a minimum value at rf power of 180W and $100^{\circ}C$ without $N_2O$ gas. The fluorine content of F-doped SiOC : H film increased from 1.9 at% to 2.4 at% as the rf power was increased from 60 W to 180 W, which results in the decrease of refractive index.