• Title/Summary/Keyword: C-O bond

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Crystal and Molecular Structure of 4,6-Dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo [8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5,11-trione 2-ethoxyphenyl (2E)-but-2-enoate

  • Ganapathy, Jagadeesan;Damodharan, Kannan;Manickam, Bakthadoss;Sanmargam, Aravindhan
    • Journal of Integrative Natural Science
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    • v.6 no.4
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    • pp.197-204
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    • 2013
  • The crystal structure of the potential active 4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo [8.8.0.02,7.013,18] octadeca-2(7),13,15,17-tetraene-3,5,11-trione 2-ethoxyphenyl (2E)-but-2-enoate ($C_{22}H_{18}N_2O_5$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group $P_12_1/c_1$ with unit cell dimension a=15.2039(8), b=12.3888(6) and c= 9.8162(5) [alpha & $gamma=90^{\circ}$ beta=98.113(2)]. In the structure fused pyrone and pyran rings each adopt a sofa/envelop conformation. The crystal structure is stabilized by intramolecular C-H... O hydrogen bond interaction.

Thermal Decomposition of A New Insecticide KH-502 [O, O-Diethyl O-(1-phenyl -3-trifluoromethy-5-pyrazoyl) thiophosphoric acid ester] (신규(新規) 살충제(殺蟲劑)인 O, O, O-Diethyl-O-(1-phenyl-3-trifluoromethyl-5-pyrazoyl) thiophosphoric acid ester의 열(熱)에 의한 분해성(分解性))

  • Cho, Boo-Yeon;Han, Dae-Sung
    • Korean Journal of Environmental Agriculture
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    • v.11 no.3
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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

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The Crystal Structure of Naproxen Sodium, ($C_{14}H_{13}O_3Na$), A Non-steroidal Antiinflammatory Agent

  • Kim, Yang-Bae;Park, Il-Yeong;Lah, Woon-Ryong
    • Archives of Pharmacal Research
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    • v.13 no.2
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    • pp.166-173
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    • 1990
  • The structure of the anti-inflammatory agent, naproxen sodium was determined by single crystal X-ray diffraction analysis. Crystal of the compound, which was recrystallized from methanol solution, is nomoclinic, space group $P2_1$ with a = 21. 177(6), b = 5.785(2), c = 5.443(2) $\AA, \beta$ = 91.41(3)$\{\circ}$ and Z = 2. The calculated density is 1.346; the observed value is nements based on 1093 reflections ($F\geq3\sigma$(F)) gave the final R value of 0.043. There are of one water per one compound molecule in the crystal. The carboxyl group of the molecule is nearly perpendicular to the naphthalene ring. The molecules are arranged along with the screw axis, and stabilized by five 0...Na type interactions. The molecule retains nearly same dimensions and similar conformation compared to its parent compound, naproxen, except for the torsion angles around C(5)-C(11) bond.

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The In-situ Dressing of CMP Pad Conditioners with Novel Coating Protection

  • Sung, James-C.;Kan, Ming-Chi
    • Proceedings of the Korean Powder Metallurgy Institute Conference
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    • 2006.09b
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    • pp.1142-1143
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    • 2006
  • Kinik Company pioneered diamond pad conditioners protected by DLC barrier ($DiaShield^{(R)}$ Coating) back in 1999 (Sung & Lin, US Patent 6,368,198). Kink also evaluated Cermet Composite Coating (CCC or $C^3$, patent pending) with a composition that grades from a metallic (e.g. stainless steel) interlayer to a ceramic (e.g. $Al_2O_3$ or SiC) exterior. The metallic interlayer can form metallurgical bond with metallic matrix on the diamond pad conditioner. The ceramic exterior is both wear and corrosion resistant. The gradational design of $C^3$ coating will assure its strong adherence to the substrate because there is no weak boundary between coating and substrate.

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Structure of Chloro bis(1,10-phenanthroline)Cobalt(II) Complex, [Co(phen)2(Cl)(H2O)]Cl·2H2O

  • Pu Su Zhao;Lu De Lu;Fang Fang Jian
    • Journal of the Korean Chemical Society
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    • v.47 no.4
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    • pp.334-338
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    • 2003
  • The crystal structure of $[Co(phen)_2(Cl)(H_2O)] Clㆍ2H_2O$(phen=1,10-phenanthroline) has been determined by X-ray crystallography. It crystallizes in the triclinic system, space group P1, with lattice parameters a=9.662(2), b=11.445(1), c=13.037(2)${\AA}$ ${\alpha}$=64.02(1), ${\beta}$=86.364(9), ${\gamma}=78.58(2)^°$, and Z=2. The coordinated cations contain a six-coordinated cobalt atom chelated by two phen ligands and one chloride anion and one water ligand in cis arrangement. In addition to the chloride coordinated to the cobalt, there are one chloride ion and four water molecules which complete the crystal structure. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds, within which exists the strongest hydrogen bond (O(3)-O(4)=2.33${\AA}$). The intermolecular hydrogen bonds connect the $[Co(phen)_2(Cl)(H_2O)]1+,\;H_2O$ moieties and chloride ion.

THE CRYSTAL AND MOLECULAR STRUCTURE OF 3-N-(2,2-DIETHOXY-ETHYL)-2-BENZIMIDAZOLINONE (3-N-(2,2디에토오키시에칠) -2벤즈 이미다즈오리논의 결정 및 분자구조)

  • 안중태;이숙자
    • Korean Journal of Crystallography
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    • v.2 no.2
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    • pp.7-12
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    • 1991
  • C13H1SN203, Mr=250.29, is monoclinic, space group P21/a with a=8.765(4), b=17.679(3), c= 9.238(4) A, b=105.6(3)A, Z=4, V=1378.53 A3, A (Mo Ka)=0.71069 A, F(000)=536, T=299, R=0.080 for 1783 unique observed reflections with I > 1.0 σ(I). The structure was solved by direct methods and relined by cascade diagona! least-squares refinement. The C-H bond lengths and methyl groups were fixed and refined as their ideal geometry. One of two ethoxy groups is more twisted by 1 was compared with another. There is one hydrogen bond in the crystal lattice, N H‥‥0= 2.789A, forming a molecular pair packing along the b-axis.

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The Effect of Alkali Metal Ions on Nucleophilic Substitution Reactions of Aryl Substituted Benzenesulfonates

  • Ik-Hwan Um;Seok-Joo Lee;Hee-Sun Park;Dong-Sook Kwon
    • Bulletin of the Korean Chemical Society
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    • v.15 no.2
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    • pp.161-167
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    • 1994
  • Rate constants have been measured spectrophotometrically for the nucleophilic substitution reactions of aryl substituted benzenesulfonates (3) with alkali metal ethoxides ($EtO^-M^+$) and butane-2,3-dione monoximates ($Ox^-M^+$) in ethanol at $25^{\circ}C$. The reactivity of the alkali metal ethoxides decreases in the order $EtO^-K^+> EtO^- > EtO^-Li^+$, indicating that $K^+$ ion behaves as a catalyst and $Li^+$ ion acts as an inhibitor for all the substrates studied. For the corresponding reactions of 3 with Ox^-M^+$, $Li^+$ ion also exhibits inhibitory effect for all the substrates, while, $K^+$ ion shows catalytic or inhibitory effects depending on the nature of substituents on the acyl and phenyl moieties. A study of substituent effect on rate has revealed that both EtO^- $and Ox^-$ systems have the same reaction mechanism. The different behavior shown by $K^+$ ion for the reaction of 3 with $EtO^-$ and $Ox^-$ would be attributed to a difference in charge polarization of S=O bond in the transition state between the two systems and/or a change in conformation of Ox^-K^+$.

A Study in the High Temperature Wear and Thermal Shock Resistance of the Functional Gradient Thermal Barrier Coating by Air Plasma Spray with ZrO$_2$ (APS법에 의한 경사기능성 지르코니아 열장벽 피막의 열충격 및 고온내마모 특성에 관한 연구)

  • 한추철;박만호;송요승;변응선;노병호;이구현;권식철
    • Journal of the Korean institute of surface engineering
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    • v.30 no.4
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    • pp.272-280
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    • 1997
  • The Thermal Barrier Coation(TBC) to improve the that barrier and wear resistant propenrty in high temperature ofthe aircraftength between the accumlation of the aircraft engine and the automobile engine has usually the two layer structure. One is a creamic top layer for heat insulation and the other is a metal bond layer to facilitate the bond strength between the top ceramic layer and the substrate. But, the coated layers should be peeled off because of the accumulation of the thermal stress by the differance of the thermal expantion coefficient between metal and ceramics in a hrat cyclic environment. In this study, the intermediate layer by plasm spray process was introduced to reduce the thermal stress. The powders of plasm spray coating were the Yttria Stabilized Zirconia (YSZ), the Magnesia Stabillized Zirconia(MSZ) and NiCrAlY. the intermediate layer was sprayed with the powders of the bond cast for the purpose of test were executed. The high temperature wear resistance tends to decreasnceee wear and thermal shock test were exeucuted. The high temperature were resistance of the YSZ TBC is better that of the MSZ TBC. The wearrsistance tends to decrease accoring to incresing the temperature between $400^{\circ}C$to $600^{\circ}C$. The thermal shock life of the 3 layer TBC with YSZ top casting was the most outstanding thermal shock rsisstasnce. This means that the intermediate layer should play an importnat roll to alleviate the diffrerence of the thermal expansion coef frcients between metallic layer and cermics layer.

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Effects of dentin surface preparations on bonding of self-etching adhesives under simulated pulpal pressure

  • Chantima Siriporananon;Pisol Senawongse;Vanthana Sattabanasuk;Natchalee Srimaneekarn;Hidehiko Sano;Pipop Saikaew
    • Restorative Dentistry and Endodontics
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    • v.47 no.1
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    • pp.4.1-4.13
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    • 2022
  • Objectives: This study evaluated the effects of different smear layer preparations on the dentin permeability and microtensile bond strength (µTBS) of 2 self-etching adhesives (Clearfil SE Bond [CSE] and Clearfil Tri-S Bond Universal [CTS]) under dynamic pulpal pressure. Materials and Methods: Human third molars were cut into crown segments. The dentin surfaces were prepared using 4 armamentaria: 600-grit SiC paper, coarse diamond burs, superfine diamond burs, and carbide burs. The pulp chamber of each crown segment was connected to a dynamic intra-pulpal pressure simulation apparatus, and the permeability test was done under a pressure of 15 cmH2O. The relative permeability (%P) was evaluated on the smear layer-covered and bonded dentin surfaces. The teeth were bonded to either of the adhesives under pulpal pressure simulation, and cut into sticks after 24 hours water storage for the µTBS test. The resin-dentin interface and nanoleakage observations were performed using a scanning electron microscope. Statistical comparisons were done using analysis of variance and post hoc tests. Results: Only the method of surface preparation had a significant effect on permeability (p < 0.05). The smear layers created by the carbide and superfine diamond burs yielded the lowest permeability. CSE demonstrated a higher µTBS, with these values in the superfine diamond and carbide bur groups being the highest. Microscopic evaluation of the resin-dentin interface revealed nanoleakage in the coarse diamond bur and SiC paper groups for both adhesives. Conclusions: Superfine diamond and carbide burs can be recommended for dentin preparation with the use of 2-step CSE.

The Partial Oxidation of Methanol of MoO3 Catalyst (MoO3 촉매상에서의 메탄올 부분산화반응)

  • Kim, Jeong-Hi;Park, Youn-Seok;Lee, Ho-In
    • Applied Chemistry for Engineering
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    • v.2 no.2
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    • pp.127-137
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    • 1991
  • The dissociation and partial oxidation of $CH_3OH$ on polycrystalline $MoO_3$ powder catalyst were studied using thermal desorption spectrometry(TDS) under high vacuum condition. $CH_3OH$ was dissociatively adsorbed on $MoO_3$ in the forms of surface methoxy($-OCH_3$) and atomic hydrogen(-H). $CH_3OH$ desorbed at 425 K via the re-association of methoxy and adsorbed hydrogen atom, and HCHO desorbed at 545 K through the bond breakage of C-H in methoxy. Water TDS spectra showed two desorption peaks, that is, ${\alpha}$-peak at 428 K and ${\beta}$-peak at 586 K. It was suggested that ${\alpha}$-peak was due to the hydroxyl formed on $MoO_3$ surface during the dissociation of $CH_3OH$, and that ${\beta}$-peak was from the association of lattice oxygen and surface hydrogen atom formed by the bond breakage of C-H in methoxy. Pre-adsorbed oxygen on the surface of $MoO_3$ catalyst increased the amount of adsorption of $CH_3OH$ by promoting the dissociation of $CH_3OH$ on the surface, whereas pre-adsorbed water decreased the amount of adsorption of $CH_3OH$ by blocking of adsorption sites for $CH_3OH$.

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