• Title/Summary/Keyword: CN ring

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Surface-enhanced Raman Scattering(SERS) of Benzylcyanide in Silver Sol

  • Boo Doo Wan;Kim Kwan;Kim Myung Soo
    • Bulletin of the Korean Chemical Society
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    • v.9 no.1
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    • pp.27-29
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    • 1988
  • The surface-enhanced Raman scattering(SERS) of benzylcyanide in a silver sol was investigated. It was concluded that the molecule adsorbed onto the silver surface via the ${\pi}$ system of the CN group. The molecule was assumed to coordinate with either a single atom or two silver atoms. According to the SERS selection rule, the benzene ring of the adsorbed species seemed to assume a flat stance with respect to the silver surface.

DGEBA-MDA-SN-Hydroxyl Group System and Composites -Cure Kinetics and Mechanism in DGEBA/MDA/SN/HQ System- (DGEBA-MDA-SN-Hydroxyl계 복합재료의 제조 -DGEBA-MDA-SN-HQ계의 경화반응 속도론 및 메카니즘-)

  • Shim, Mi-Ja;Kim, Sang-Wook
    • Applied Chemistry for Engineering
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    • v.5 no.3
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    • pp.517-523
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    • 1994
  • The effects of cure kinetics and mechanism of DGEBA(diglycidyl ether of bisphenol A)/MDA(4,4'-methylene dianiline) with SN(succinonitrile) and HQ(hydroquinone) as an additive and accelerator were investigated. Cure kinetics was evaluated by Kissinger equation and fractional-life method through DSC analysis. The activation energy has hydroxyl group as an accelerator, the activation energy and the starting cure-temperature were lower than those of DGEBA/MDA/SN system. Cure mechanism of those systems was investigated through FT-IR according to the various SN contents. The ratio was SN : HQ = 4 : 1. It has been known that the cure reactions of an epoxy-diamine system are composed of primary amine-epoxy reaction, secondary amino-epoxy reaction and epoxy-hydroxyl group reaction. But in DGEBA/MDA/SN system, primary amino-CN group reaction and CN group-hydroxyl group reaction were added to the above mentioned reactions. These reactions attributed to the long main chain and the low crossliking density. And in DGEBA/MDA/SN/HQ system, hydroxyl group of HQ formed a transition state with epoxide group and amime group and also opened the ring of the epoxide group rapidly, then amino-epoxy reaction took place easily.

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Time-Dependent Density Functional Theory Study on Cyclopentadithiophene-Benzothiadiazole-Based Push-Pull-Type Copolymers for New Design of Donor Materials in Bulk Heterojunction Organic Solar Cells

  • Ku, Ja-Min;Kim, Dae-Kyun;Ryu, Taek-Hee;Jung, Eun-Hwan;Lansac, Yves;Jang, Yun-Hee
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.1029-1036
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    • 2012
  • Push-pull-type copolymers - low-band-gap copolymers of electron-rich fused-ring units (such as cyclopentadithiophene; CPDT) and electron-deficient units (such as benzothiadiazole; BT) - are promising donor materials for organic solar cells. Following a design principles proposed in our previous study, we investigate the electronic structure of a series of new CPDTBT derivatives with various electron-withdrawing groups using the time-dependent density functional theory and predict their power conversion efficiency from a newlydeveloped protocol using the Scharber diagram. Significantly improved efficiencies are expected for derivatives with carbonyl [C=O], carbonothioyl [C=S], dicyano [$C(CN)_2$] and dicyanomethylene [C=$C(CN)_2$] groups, but these polymers with no long alkyl side chain attached to them are likely to be insoluble in most organic solvents and inapplicable to low-cost solution processes. We thus devise several approaches to attach alkyl side chains to these polymers while keeping their high efficiencies.

Cyanide detection based on natural dyes reaction from blue butterfly pea flowers (Clitoria Ternatea)

  • Chotichayapong, Chatrachatchaya;Kuchaiyaphum, Pusita;Butwong, Nutthaya;Bua-ngern, Worapong
    • Analytical Science and Technology
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    • v.35 no.4
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    • pp.153-160
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    • 2022
  • A green spectrophotometric method for the determination of cyanide has been proposed using, a green reagent, aqueous extract of blue butterfly pea. The test tube was filled with anthocyanin rich extract (pH 6) and cyanide solution. The reaction was kept constant for 10 minutes at room temperature. The reaction mixture changed color from blue to green as the amount of CN-ions increased. The 620 nm peak intensity increased with CN concentration. Therefore, this wavelength was used for all cyanide analyses. The cyanide calibration curve had a linear range of 0.25-1.00, 1.00-4.00, and 4.00-10.00 mg/L, with a satisfactory correlation coefficient of 0.99 and a LOD of 0.57 mg/L. The recovery ranged from 8.33 to 76.94 percent, indicating that this method is inaccurate at low cyanide concentrations. The intra-day and intermediate precision relative deviations were 0.391-0.871 % and 1.112-1.583 %. An H-bond forms between the C-4 group of the B-carbonyl ring and the HCN molecule according to the B3LYP/TZVP calculation. The method is convenient for cyanide concentrations above the LOQ of 1.09 mg/L, cost-effective, and capable of reducing toxic solvents with acceptable precision. The method could also be used to detect total cyanide in biological, environmental, and industrial waste samples.

Architecture and Characteristics of Multi-Ring based Optical Network with Single-Hop between Edge Nodes (Edge Node간 단일 홉을 갖는 다중링 기반의 광네트워크 구성 및 특성)

  • Lee, Sang-Hwa;Lee, Heesang;Han, Chimoon
    • Journal of the Institute of Electronics Engineers of Korea TC
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    • v.41 no.6 s.324
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    • pp.69-78
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    • 2004
  • This paper proposes architecture and characteristics of a multi-ring based optical network with single-hop between edge nodes using the concept of circuit switching and multi-wavelength label switching to solve delay problem caused by applying crossconnectors as transit nodes in the wavelength division multiplexing(WDM) network. We suggest multi-ring based architecture composed single and multiple wavelength-bands with multi-wavelength labels, and analyze characteristics of two models. To avoid the packet collision in output ports of edge nodes due to output contention, the static and dynamic allocation scheme, which packets are allocated in time slots, is provided. Based on our analysis, it shows that delay only occur in not core nodes but edge nodes in the proposed architecture. In addition, we evaluate the probabilities of delay, packet loss, and call blocking in the proposed optical packet network.

Redox Chemistry and Autoreduction of Non-$\mu$-oxo Dimer-Forming [5,10,15,20-Tetrakis(2,6-dichlorophenyl)porphyrinato] Manganese(III) Chloride by Hydroxide Ion

  • 전승원;이효경;최용국
    • Bulletin of the Korean Chemical Society
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    • v.17 no.10
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    • pp.929-934
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    • 1996
  • The electrochemistry and the reaction of non-μ-oxo dimer-forming [5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrinato] manganese(Ⅲ) chloride [(Cl8TPP)MnⅢCl] with tetraethylammonium hydroxide in water [-OH(H2O)] have been investigated by electrochemical and spectroscopic methods under anaerobic conditions. The stronger autoreduction of (C18TPP)MnⅢCl by -OH(H2O) in comparison with (Me12TPP)MnⅢCl by -OH(CH3OH) in MeCN is explained as the influence of electronic effects on substituted phenyl groups bonded to meso-position of porphyrin ring and the positive shift of reduction potential (-0.11 V) for (C18TPP)MnⅢCl. The autoreduction of manganese(Ⅲ) porphyrin to manganese (Ⅱ) by this process is only observed when one axial position is occupied by a ligating solvent and OH- coordinates the other axial site. The results are discussed in relation to the mechanisms for the reduction of manganese(Ⅲ) porphyrin.

Syntheses and Liquid Crystalline Properties of the Compounds Having a Siloxylethylene Group and a Terminal Substituent (Siloxyl Ethylene 그룹과 말단치환기를 포함하는 액정화합물의 합성 및 액정성)

  • Yang, Seong Hun;Hong, Wan Hae;Yu, Euy Kyung
    • Journal of the Korean Chemical Society
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    • v.40 no.5
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    • pp.365-373
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    • 1996
  • A series of new dimesogenic compounds, di-4-(p-substituted phenoxycarbonyl) phenoxyethyltetramethyldisiloxanes, were prepared and identified. Another compound having a $\beta$-naphthyl group in the place of a p-substituted phenyl ring was also synthesized. The results were as follows, 1) The compounds were synthesized with considerably high yields in the range of 85% to 95%. 2) All of the compounds are enantiotropic and form smectic phase in melt, the compound with $X=NO_2$ is $S_A$ while the remaining ones are SB. 3) Liguid crystalline phase transion of the compounds were influenced in corporations of the size and electron affinity of the substituent. 4) The heats of melting ΔHm, are particulary low, while the heats of isotropization, ΔHi, are comparable to other dimesogenic compounds. 5) The smectic group efficiency of the substituents in the compounds is in the order of $H

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Theoretical Studies on the Progonation Equilibria of Benzoyl Derivatives

  • Kim, Wang Gi;Kim, Yong Bin;Kim, Chang Gon;Lee, Bon Su
    • Bulletin of the Korean Chemical Society
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    • v.22 no.4
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    • pp.395-400
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    • 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.

A Study on Chemical Modification Effect of Papermaking Fiber by Cyanoethylation (Cyanoethyl화에 의한 제지용 섬유의 화학적 개질효과에 관한 연구)

  • Yoon, Se-Young;Jo, Byoung-Muk;Oh, Jung-Soo
    • Journal of the Korean Wood Science and Technology
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    • v.25 no.1
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    • pp.56-64
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    • 1997
  • Since there are three hydroxyl groups on each anhydroglucose ring of the cellulose, the renewable resources, we can get various functional papers by the chemical modification of cellulose. The reaction involving the introduction of the ${\beta}$-cyanoethyl ($-CH_2-CH_2$-CN) group into organic substances containing reactive hydrogen atoms is known as cyanoethylation. Cellulose reacts with acrylonitrile in the presence of strong alkalis in a typical manner of primary and secondary alcohols to form cyanoethyl ethers. In cyanoethylation, important factors of reaction are temperature, concentration of the NaOH, and addition rate of acrylronitrile. FT-IR spectra of cyanoethyl group was confirmed at $2250cm^{-1}$, which corresponds the introduction of aliphatic nitrile group. Effect of cyanoethyl DS(degree of substitution) on strength properties was resulted that cyanoethylated BKP of DS 0.04 appeared to be the best choice for overall strength properties. Also, excellent thermal stability in aging characteristics was obtained.

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Preparation and Characterization of Half-Sandwich Cobalt(III) Complexes of Cp Ligands with a Rigid Thioanisole Side-Chain

  • S, Sujith;Lee, Bun-Yeoul;Han, Jin-Wook
    • Bulletin of the Korean Chemical Society
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    • v.28 no.8
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    • pp.1299-1304
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    • 2007
  • New sulfur functionalized cyclopentadiene ligands, 1-[2-(thioanisole)]-2,5-dimethylcyclopentadiene (3), 1-[2- (thioanisole)]-2,3,5-trimethylcyclopentadiene (4), and 1-[2-(thioanisole)]-2,3,4,5-tetramethylcyclopentadiene (5), were prepared. In these ligands, the S-donor atom is connected to a cyclopentadiene ring by a rigid phenylene spacer. CpCo(III)-diiodo half-sandwich complexes (6-8) were obtained from reaction the ligands (3- 5) with Co2(CO)8, followed by treatment of I2. Substitution reaction of CpCo(III)-diiodo complexes with MeLi yielded the corresponding CpCo(III)-dimethyl complexes (9-11). Further transformation to the corresponding cationic cobalt complexes (12-14) were achieved by reaction of the CpCo(III)-dimethyl complexes with HB(ArF)4·2Et2O and trapping with CD3CN. The new sulfur functionalized cyclopentadiene ligands having a rigid phenylene spacer and the corresponding cobalt complexes were characterized by 1H, 13C and 19F NMR spectroscopy. The diiodo Complex 6 was also characterized by a single crystal X-ray diffraction method.