• Title/Summary/Keyword: C=C bond

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The Crystal Structure of One Natural Compound Cyclo-(1,10-Docandiamino-11,20-Docanedioic) Amide (1,12-Diazacyclodocosane-2,11-Dione)

  • Wei, Wan-Xing;Pan, Yuan-Jiang
    • Bulletin of the Korean Chemical Society
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    • v.23 no.11
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    • pp.1527-1530
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    • 2002
  • 1,12-diazacyclodocosane-2,11-dione was first isolated from a plant Phyllanthus niruri Linn. Its structure has been determined by means of spectroscopy methods and X-ray crystallography. Two peptide groups in the big ring (lactam) are the main factors influencing intermolecular contacts. The hydrogen-bond interaction of these hydrophilic groups is observed in the crystal structure. Meanwhile, C-H···O hydrogen bonds in molecules contribute to the formation of the whole crystal. These two kinds of hydrogen-bond form six- member rings among molecules. This compound crystallizes in the triclinic space group P-1 with a= 9.588(1) $\AA$, b= $9.850(1)\AA$, c = $11.810(1)\AA$, $\alpha=$ 68.18(1)$^{\circ}C$ , $\beta=$ 84.98(1), $\gamma$ = 86.03(1)$^{\circ}C$ , V = $1030.66(17)\AA3$ , Z = 2. A disorder of five-member carbon chain in the whole ring is observed in the title compound. The bond angle 105.8(4) is determined for a extreme configuration C(14)-C(15)-C(16), and 117.7(10) for another extreme configuration C(14')-C(15')-C(16'). In this crystal, two molecules are tied each other by short intermolecular hydrogen bonds, the oxygen atom being tied by hydrogen bond to nitrogen atom of another two molecules. The NMR and IR spectral data coincides to the structure of the compound.

Lattice Deformation and Electronic Structure of the $C_{60}{^+}$ Cation

  • 이기학;이한명;전희자;박성수;이왕로;Park, T. Y.;Xin Sun
    • Bulletin of the Korean Chemical Society
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    • v.17 no.5
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    • pp.452-457
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    • 1996
  • The effects caused by the ionization on the electronic structure and geometry on C60 are studied by the modified Su-Schriffer-Heeger (SSH) model Hamiltonian. After the ionization of C60, the bond structure of the singly charged C60 cation is deformed from Ih symmetry of the neutral C60 to D5d, C1, and C2, which is dependent upon the change of the electron-phonon coupling strength. The electronic structure of the C60+ cation ground state undergoes Jahn-Teller distortion in the weak electron-phonon coupling region, while self-localized states occur in the intermediate electron-phonon region, but delocalized electronic states appear again in the strong electron-phonon region. In the realistic strength of the electron-phonon coupling in C60, the bond structure of C60+ shows the layer structure of the bond distortion and a polaron-like state is formed.

Palladium-Catalyzed Coupling between Quinolone Moieties and Heteroaryl Stannes - Synthesis of C-7 heteroaryl Quinolone Derivatives - (팔라듐 촉매를 이용한 퀴놀론핵과 Heteroaryl Stannes의 결합 - C-7 heteroaryl 쿼놀론 유도체의 합성 -)

  • 남상훈;함원훈;김기수;임태균;양재권
    • YAKHAK HOEJI
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    • v.37 no.6
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    • pp.615-620
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    • 1993
  • The cross-coupling reaction of organo tin reagents with a variety of organic halides, catalyzed by palladium, provides a novel method for generating a carbon-carbon bond. We used this method for the antibacterial agents, and synthesis of new quinolone derivatives which have carbon-carbon bond at C-7 position of general quinolone moieties. Aryl tin, quinolone moieties, and palladium catalyst were refluxed in DMF to afford new quinolone derivatives. This palladium catalyzed coupling reactions have capacity for further synthetic elaboration.

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EFFECT OF THERMOCYCLING ON BONDING OF COMPOSITE RESIN AFTER DENTIN SURFACE TREATMENTS (상아질 표면처리후 복합레진 수복시 온도변화가 결합에 미치는 영향)

  • Lee, Yong-Woo;Son, Ho-Hyun
    • Restorative Dentistry and Endodontics
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    • v.16 no.2
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    • pp.126-142
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    • 1991
  • The purpose of this study was to evaluate the effect of various dentin surface treatments on shear bond strength, microhardness and fracture mode before and after thermocycling. Recently extracted 75 human molars were used. The teeth were sagittal sectioned faciolingually to obtain 150 specimens. They were randomly divided into six groups. Mesial and distal dentinal surfaces of specimens were exposed by grinding and treated respectively with GC-DENTIN CONDITIONER. 10-3 solution of 4-Meta, Cleansar and Primer of GLUMA, Scotchprep of Scotchbond 2, DENTIN CONDITIONER and PRIMER A, B of ALL BOND according to the manufacturers directions. Specimens of one group were not treated. Adhesive agent of Scotchbond 2, were applied and cured on the treated dentin surfaces. After P-50 were cured on them, specimens were stored in 31c water for 24 hours before shear bond strength measurement Shear bond strength was measured in 10 specimens of each group. 10 specimens of each group were thermocycled in $20^{\circ}C$, $60^{\circ}C$,$20^{\circ}C$, $4^{\circ}C$, $20^{\circ}C$ water in order, for 30 seconds respectively, 100 times a day for 7 days. After thermocycling shear bond strength was measured. Microhardness was checked on treated dentin surface and fractured dentin surface in 10 specimens respectievly. Francture modes were observed with SEM The following results were obtained. 1. Before thermocycling. shear bond strengths in the specimens treated with DENTIN CONDITIONER and PRIMER A, B of ALL BOND were significantly higher than those in other specimens(P<0.01). 2. After thermocycling. shear bond strengths in the specimens treated with Cleanser and Primer of GLUMA, Scotchprep of Scotchbond 2 and DENTIN CONDITIONER and PRIMER A, B of AIL BOND were significantly higher than those in specimens not: treated, treated with GC-DENTIN CONDITIONER and 10-3 solution of 4-Meta(P<0.01). Shear bond strengths in the specimens treated with GC-DENTIN CONDITIONER and PRIMER A, B of ALL BOND were significantly higher than those in other specimens except those treated with Scotchprep of Srotchbond 2(P<0.01). 3. Shear bond strengths after thermocycling were reduced in the specimens not treated, treated with GC-DENTIN CONDITIONER and 10-3 solution of 4-Meta and were increased in the specimens treated with Cleanser and Primer of GLUMA, Scotchprep of Scotchbond 2, without significance, compared with those before thermocycling. In the specimens treated with DENTIN CONDITIONER and PRIMER A, B of ALL BOND, shear bond strengths after thermocycling were significantly increased, compared with those before thermocycling(P<0.01). 4. Microhardnesses in the fractured surfaces after shear bond strength measurement were significantly increased in the specimens treated with 10-3 solution of 4-Meta and significantly decreased in the specimens treated with DENTIN CONDITIONER and PRIMER A, B of ALL BOND, compared with those in the treated dentin surfaces(P<0.01). 5. In the specimens treated with Cleanser and Primer of GLUMA, Scotchprep of Scotchbond 2 and DENTIN CONDITIONER and PRIMER A, B of ALL BOND, cohesive fracture modes were observed more than adhesive fracture modes.

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Hydrolysis of Phosphate Diesters as Nucleic Acid Model (핵산 모델로서 Phosphate Diester들의 가수분해 반응)

  • Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.37 no.6
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    • pp.447-450
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    • 1994
  • Rate of hydrolysis ethylene phosphate, dimethylphosphate and hydroxyethylmethylphosphate in neutral water have been measured. Hydrolysis of ethylene phosphate proceeds with P-0 bond cleavage $(k_{obs}=3{\times}10^{-7}s^{-1}\;at\;100^{\circ}C,\;{\Delta}H{\neq}=24\;kcal,\;{\Delta}S{\neq}=25.5\;eu)$. In constrast, hydrolysis of dimethylphosphate proceeds with C-O bond cleavage $(k_{obs}=3{\times}10^{-7}s^{-1}\;at\;150^{\circ}C)$. The rate constant for P-O bond cleavage of dimethylphosphate is estimated at $1{\times}10^{-11}s^{-1}\;at\;150^{\circ}C,\;({\Delta}H{\neq}=36\;kcal,\;{\Delta}S{\neq}=25.5\;eu)$. A phosphodiesterase catalyzed hydrolysis of dimethylphosphate is $10^{17}$ times faster than the simple water rate. The observed rate of hydrolysis of hydroxyethylmethylphosphate is comparable to that of dimethylphosphate indicating C-O bond cleavage $(k_{obs}=6{\times}10^{-7}s^{-1}\;at\;150^{\circ}C)$.

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Evaluation of Slant Shear Strength of Recycled Asphalt Mixture with Different Tack Coat Applications (Tack Coat 使用條件에 따른 再活用 아스팔트 混合物의 附着剪斷 性能評價)

  • 김낙석
    • Resources Recycling
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    • v.10 no.1
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    • pp.32-41
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    • 2001
  • Bond shear strengths of recycled asphalt concrete were evaluated under different tack coat applications. Regardless of the new and old mixtures, the bond shear strengths at $30^{\circ}C$ were increased by 10-20% than those at 1$0^{\circ}C$. The bond shear strengths of recycled asphalt concrete without tack coat showed very low ones. These are the main reasons for the frequent longitudinal interface crack in the field. The effect of tack coat curing time on bond shear strengths was inferior to the tack coat construction temperature.

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Effect of light-curing, pressure, oxygen inhibition, and heat on shear bond strength between bis-acryl provisional restoration and bis-acryl repair materials

  • Shim, Ji-Suk;Lee, Jeong-Yol;Choi, Yeon-Jo;Shin, Sang-Wan;Ryu, Jae-Jun
    • The Journal of Advanced Prosthodontics
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    • v.7 no.1
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    • pp.47-50
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    • 2015
  • PURPOSE. This study aimed to discover a way to increase the bond strength between bis-acryl resins, using a comparison of the shear bond strengths attained from bis-acryl resins treated with light curing, pressure, oxygen inhibition, and heat. MATERIALS AND METHODS. Self-cured bis-acryl resin was used as both a base material and as a repair material. Seventy specimens were distributed into seven groups according to treatment methods: pressure - stored in a pressure cooker at 0.2 Mpa; oxygen inhibition- applied an oxygen inhibitor around the repaired material,; heat treatment - performed heat treatment in a dry oven at $60^{\circ}C$, $100^{\circ}C$, or $140^{\circ}C$. The shear bond strength was measured with a universal testing machine, and the shear bond strength (MPa) was calculated from the peak load of failure. A comparison of the bond strength between the repaired specimens was conducted using one-way ANOVA and Tukey multiple comparison tests (${\alpha}$=.05). RESULTS. There were no statistically significant differences in the shear bond strength between the control group and the light curing, pressure, and oxygen inhibition groups. However, the heat treatment groups showed statistically higher bond strengths than the groups treated without heat, and the groups treated at a higher temperature resulted in higher bond strengths. Statistically significant differences were seen between groups after different degrees of heat treatment, except in groups heated at $100^{\circ}C$ and $140^{\circ}C$. CONCLUSION. Strong bonding can be achieved between a bis-acryl base and bis-acryl repair material after heat treatment.

THE EFFECT OF SURFACE TREATMENTS ON THE SHEAR BOND STRENGTH OF REPAIRED COMPOSITES (광중합형 복합레진 수리시 표면처리가 전단결합강도에 미치는 영향)

  • Moon, Jang-Won;Lee, Kwang-Won;Park, Soo-Joung
    • Restorative Dentistry and Endodontics
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    • v.24 no.1
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    • pp.156-165
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    • 1999
  • The purpose of this study was to evaluate the effect of surface treatments on the shear bond strength between new and old composites. Circular cavities prepared on the center of acrylic resin mold and the prepared cavities were filled with composite resin. They randomly assigned into control group and 8 groups according to the difference in surface treatments of old composites; Control group: no surface treatment, Group 1: surface treated with #120 SiC paper & bonding agent, Group 2: surface treated with #400 SiC paper & bonding agent, Group 3: surface treated with #120 SiC paper, 32% $H_3PO_4$ & bonding agent, Group 4: surface treated with #400 SiC paper, 32% $H_3PO_4$ & bonding agent, Group 5: surface treated with #120 SiC paper, primer & bonding agent, Group 6: surface treated with #400 SiC paper, primer & bonding agent, Group 7: surface treated with #120 SiC paper, 32% $H_3PO_4$, primer & bonding agent, Group 8: surface treated with #400 SiC paper, 32% $H_3PO_4$, primer & bonding agent. New composites were applicated on the old composites of experimental groups. The shear bond strengths for the experimental specimen were measured and the results were analyzed by using one way ANOVA. The observations of surface morphology after SiC paper roughening and debonded surface morphology after shear bond strength test were done by SEM. The results were as follows; 1. Shear bond strengths for specimens roughened with #120 SiC paper matching with the particle size of coarse diamond bur were significantly higher than those for the specimens with #400 SiC paper(P<0.05). By SEM, the surface of the specimens roughened with #120 SiC paper was more irregular than the specimens with #400 SiC paper. 2. Shear bond strengths for specimens treated with 32% $H_3PO_4$ etchant, primer, bonding resin were significantly higher than those for specimens treated with 32% $H_3PO_4$ and bonding resin(P<0.05). 3. Shear bond strengths for the specimens treated with 32% $H_3PO_4$ etchant and bonding resin were significantly higher than those for specimens treated with only bonding resin(P<0.05). There was no remarkable change of surface morphology after 32% $H_3PO_4$ etching. 4. It was possible to observe mixed fracture patterns (the cohesive fracture of old composite and the adhesive fracture between old and new composite) in the specimens roughened with #120 SiC paper, but almost adhesive fracture in the specimens roughened with #400 SiC paper.

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Theoretical Studies on the Gas-Phase Alkylation of Delocalized Ambident Anions with Methyl Fluoride

  • 이익춘;박형연;한인숙;김창곤;김찬경;이본수
    • Bulletin of the Korean Chemical Society
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    • v.20 no.5
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    • pp.559-566
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    • 1999
  • Gas-phase alkylations of delocalized ambident anions, Y---CH---X- where X, Y=CH2, O, or S, have been investigated theoretically at the MP2/6-31+G*//MP2/6-31+G* and QCISD/6-31+G*//MP2/6-31+G* lev-els. O-and S-alkylations (X=O and S) are more favored kinetically by ΔE^≠ = 4.6 and 9.8 kcal mol-1 than the respective C-alkylations even though they are thermodynamically less favored by 22.4 and 6.0 kcal mol-1 respectively. It was found that the transition structures for the C-alkylations are imbalanced due to the endoergic rehybridi-zation of the carbon center from sp2 to sp3 which leads to premature bond contraction of the C-Y bond and delayed bond stretching of the C-X bond. In the O-, or S-alkylation, such endoergic process is not required since the σ-lone pair on O or S is involved in the initial stage of alkylation. The imbalanced TSs for the C-alkylation are accompanied by higher intrinsic barriers and deformation energies.

An experimental investigation on effect of elevated temperatures on bond strength between externally bonded CFRP and concrete

  • Attari, Behzad;Tavakkolizadeh, Mohammadreza
    • Steel and Composite Structures
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    • v.32 no.5
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    • pp.559-569
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    • 2019
  • The bond strength between composite laminates and concrete is a key factor that controls the behavior of concrete members strengthened with fiber reinforced polymer (FRP) sheets, which can be affected by several parameters such as thermal stresses and surface preparation. This article presents the result of an experimental study on the bond strength between FRP sheets and concrete at ambient temperature after specimens had been exposed to elevated temperatures of up to $200^{\circ}C$. For this purpose, 30 specimens of plain concrete with dimensions of $150{\times}150{\times}350mm$ were prepared. Three different conventional surface preparation methods (sandblasting, wire brushing and hole drilling) were considered and compared with a new efficient method (fiber implantation). Deformation field during each experiment was monitored using particle image velocimetry. The results showed that, the specimens which were prepared by conventional surface preparation methods, preserved their bond integrity when exposed to temperature below glass transition temperature of epoxy resin (about $60^{\circ}C$). Beyond this temperature, the bond strength and stiffness decreased significantly (about 50%) in comparison with control specimens. However, the specimens prepared by the proposed method displayed higher bond strengths of up to 32% and 90% at $25^{\circ}C$ and $200^{\circ}C$, respectively.