• Title/Summary/Keyword: Double bond

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Observation of Elusive CF2Cl…Cl in Matrix Infrared Spectra and Density Functional Calculations

  • Cho, Han-Gook
    • Bulletin of the Korean Chemical Society
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    • v.34 no.11
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    • pp.3274-3278
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    • 2013
  • $CF_2Cl{\cdots}Cl$, an elusive photo-isomer of $CF_2Cl_2$, has been observed in matrix IR spectra from the precursors exposed to radiation from laser ablation of transition-metals. Other plausible products, $CFCl_2{\cdots}F$ and $FClC{\cdots}F-Cl$ are not detected due to their considerably higher energies. Parallel to its previously reported analogues, the C-X bonds are considerably stronger than those of the reactant, and particularly the Cl atom that is weakly bound to the residual Cl atom forms an unusually strong carbon-halogen bond. NBO analysis reveals that the C-Cl bond is a true double bond, and the weak $Cl{\cdots}Cl$ bond is largely ionic, $F_2C=Cl^{\delta+}{\cdots}Cl^{\delta-}$. IRC computation reproduces smooth inter-conversion between the reactant and product, and the transition state is energetically close to the product, consistent with its prompt disappearance in the early stage of photolysis.

Thio and Nitrogen Analogues of Acronycine

  • Geewananda, Y.A.;Gunawardana, P.;Cordell, Geoffrey A.
    • Archives of Pharmacal Research
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    • v.18 no.3
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    • pp.195-202
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    • 1995
  • The thio, thio acetyl, oxime, and several hydrazone and azine derivatives of the antitumor alkaloid acronycine (1) were prepared. NMR spectroscopy was used to study the configurations around the C=N double bond in these acronycine derivatives. In the hydrazones and azines of acronycine the N-N bond assumes a syn configuration to the $C_6-OCH_3$ group, while the NO bond in the oxime and the N-N bond in noracronycine hydrazone and azines assumes an anti configuration.

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Bond-slip effect in steel-concrete composite flexural members: Part 1 - Simplified numerical model

  • Lee, WonHo;Kwak, Hyo-Gyoung;Hwang, Ju-young
    • Steel and Composite Structures
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    • v.32 no.4
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    • pp.537-548
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    • 2019
  • This paper introduces an improved numerical model which can consider the bond-slip effect in steel-concrete composite structures without taking double nodes to minimize the complexity in constructing a finite element model. On the basis of a linear partial interaction theory and the use of the bond link element, the slip behavior is defined and the equivalent modulus of elasticity and yield strength for steel is derived. A solution procedure to evaluate the slip behavior along the interface of the composite flexural members is also proposed. After constructing the transfer matrix relation at an element level, successive application of the constructed relation is conducted from the first element to the last element with the compatibility condition and equilibrium equations at each node. Finally, correlation studies between numerical results and experimental data are conducted with the objective of establishing the validity of the proposed numerical model.

Hula-twist, a Supramolecular Photoisomerization Reaction Mechanism in Reactions of Photosensitive Biopigments

  • Liu, Robert S.H.
    • Journal of Photoscience
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    • v.9 no.2
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    • pp.1-4
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    • 2002
  • Hula-twist is a volume-conserving photoisomerization reaction mechanism postulated in 1985 to account for the rapid photoisomerization of the retinyl chromophore in rhodopsin. The requisite stereochemical consequence of simultaneous isomerization of a double bond and an adjacent single bond has recently been demonstrated in isomerization of pre-vitamin D in an organic glass and by many other examples of organic systems already reported in the literature This paper reports the consequence in applying the mechanism to the primary photochemical process of several photosensitive biopigments: bilirubin, photoactive yellow protein, bacteriorhodopsin and rhodopsin. It is shown that the anchored nature of the chromophores must first be taken into consideration.

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Synthesis of Nucleophilic Adducts of Thiols (Ⅶ). Addition of Thioglycolic Acid to $\alpha$-Cyano-$\beta$-phenylacrylic Acid Derivatives

  • Huh, Tae-Sung;Lee, Hee-Jong;Han ,In-Sup;Kim, Tae-Rin
    • Bulletin of the Korean Chemical Society
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    • v.7 no.1
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    • pp.23-25
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    • 1986
  • Reaction of ${\alpha}-cyano-{\beta}-phenylacrylic$ acid derivatives (Ⅰ) with thioglycolic acid in the molar ratio of 1:2 in saturated sodium bicarbonate solution yielded 3-(4'-oxo-2'-thiazolin-2'-yl)-2-phenyl-4-oxotetrahydrothiophene derivatives (V). Thioglycolic acid was found to be added not only to carbon-carbon double bond but also to carbon-nitrogen triple bond and those adducts were cyclized to V.

The effect of preheat treatment on ceramic to metal bond strength (도재-금속의 결합 강도에 미치는 비금속 합금의 열처리 효과)

  • Kim, Chi-Young;Kim, Young-Gon; Cho, Hyun-Seol
    • Journal of Technologic Dentistry
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    • v.24 no.1
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    • pp.33-41
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    • 2002
  • In dental prosthetics, the application of metal-ceramic restorations has steadily increased since their introduction. This is due to excellent esthetics in combination with high mechanical stability. In order to optimum bond strength between metal and ceramics, controlled oxidation of metal substructure is essential factor. Beryllium containing and beryllium free Ni-Cr alloys for metal-ceramic restorations were evaluated for the metal-ceramic bond strength by changing heat treatment for oxide formation. A mechanical three-point bending test was employed to evaluate the interfacial bond strength of metal-ceramic. In each metal, plate type specimens were used for mechanical three-point bending test. With Ni-Cr alloys for metal ceramics, mechanical three-point bending test showed that double degassing was more available preheat treatment method than another. It was found that beryllium containing Ni-Cr alloys are more effective than beryllium-free for metal-ceramic bond strength.

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Investigation of rate dependent shear bond properties of concrete masonry mortar joints under high-rate loading

  • John E. Hatfield;Genevieve L. Pezzola;John M. Hoemann;James S. Davidson
    • Computers and Concrete
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    • v.33 no.5
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    • pp.519-533
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    • 2024
  • Many materials including cementitious concrete-type materials undergo material property changes during high-rate loading. There is a wealth of research regarding this phenomenon for concrete in compression and tension. However, there is minimal knowledge about how mortar material used in concrete masonry unit (CMU) construction behaves in high-rate shear loading. A series of experiments was conducted to examine the bond strength of mortar bonded to CMU units under high-rate shear loading. A novel experimental setup using a shock tube and dynamic ram were used to load specially constructed shear triplets in a double lap shear configuration with no pre-compression. The Finite Element Method was leveraged in conjunction with data from the experimental investigation to establish if the shear bond between concrete masonry units and mortar exhibits any rate dependency. An increase in shear bond strength was observed when loaded at a high strain rate. This data indicates that the CMU-mortar bond exhibits a rate dependent strength change and illustrates the need for further study of the CMU-mortar interface characteristics at high strain rates.

Kinetic Studies on the Nucleophilic Addition of Thioglycolic Acid to S-Phenyl-S-vinyl-N-p-tosylsulfilimine Derivatives (S-Phenyl-S-vinyl-N-p-tosylsulfilimine 유도체에 대한 Thioglycolic Acid의 친핵성 첨가반응에 관한 반응속도론적 연구)

  • Kim, Tae Rin;Han, Man So;Pyun, Sang Yong
    • Journal of the Korean Chemical Society
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    • v.40 no.10
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    • pp.663-669
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    • 1996
  • The rate constants for the nucleophilic addition reactions of thioglycolic acid to vinylsulfilimine(VSI) derivatives(p-OCH3, H, p-Cl and p-Br) were determined by an ultraviolet spectrophotometric method, and rate equations which can be applied over a wide pH range were obtained. On the basis of rate equation, general base catalysis and substituent effect, a plausible addition reaction mechanism was proposed: Below pH 3.0, the reaction was proceeded via the addition of neutral molecule to carbon-carbon double bond after protonation at the nitrogen atom of the sulfilimine, and in the pH range of 3.0 to 9.0, the neutral molecule and its anion attacked to carbon-carbon double bond competitively. Above pH 9.0, sulfide anion added to the double bond (Michael type addition).

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