• 제목/요약/키워드: organic molecules

검색결과 529건 처리시간 0.026초

Van der Waals Volume을 이용한 역상 컬럼에서의 유기화합물들의 용출거동 (Retention Behavior of Organic Compounds on Reversed-Phase Column expected by Van der Waals Volume)

  • 박운규;이용문;문동철;강종성
    • 분석과학
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    • 제6권4호
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    • pp.383-390
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    • 1993
  • 지방족 카르복실산류, 방향족화합물류 및 알킬벤젠류에 대하여 역상 HPLC에서의 용출예측 방법을 검토하였다. 용출 파라미터로서 분자 크기를 나타내는 Van der Waasls 부피와 log k'와의 상관성을 검토한 결과, 양호한 직선성을 얻을 수 있었다. 용리액의 조성을 변화시키면서 또는 분리컬럼 온도를 변화시키면서 지방족 카르복실산류, 방향족화합물류 및 알킬벤젠류에 대하여 검토한 결과, acetonitrile이 log k'와 Van der Waals 부피와의 상관성이 가장 좋았다. 본 방법을 이용하여 역상 HPLC system에서 Van der Waasls 부피가 40~250 사이의 유기화합물들의 용출을 예측할 수 있었다. 각 용매의 용출력 세기는 methanol

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[ ${\beta}-cyclodextrin$ ] inclusion properties with guest molecules using hetero-bi-functional reactive dye

  • Kim, Byung-Soon;Kim, Young-Sung;Son, Young-A
    • 한국염색가공학회지
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    • 제19권2호
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    • pp.32-35
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    • 2007
  • Cyclodextrin is a cyclic oligosaccharid material which shows an ability to incorporate organic guest molecules inside their cavity area. Thus, this ${\beta}-cyclodextrin$ treatment on fiber substrates may provide the changed surface characteristics of the substrates such as solubility, chemical reactivity and spectral property. In this context, the aim of this present work is to make a bridge connection using hetero-bi-functional reactive dye between fiber substrates and ${\beta}-cyclodextrin$. In addition, the corresponding Berberine inclusion behaviors into the inner cavity of ${\beta}-cyclodextrin$ was examined. The %exhaustion of Berberine inclusion as a guest molecule within the ${\beta}-cyclodextrin$ was measured using UV-Vis spectrophotometer. The findings showed that the %exhaustion of Berberine inclusion increased with increasing the prepared dye bridge compound and ${\beta}-cyclodextrin$ host material.

XPS Investigation of A3 Coupling Reaction in Room Temperature Ionic Liquids

  • Kwon, Ji-Hye;Youn, So-Won;Kang, Yong-Cheol
    • Bulletin of the Korean Chemical Society
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    • 제27권11호
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    • pp.1851-1853
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    • 2006
  • We herein report a new analytical application of XPS to the identification of organic molecules in room temperature ionic liquid for the first time. An organic compound, propargylamine (1), produced in 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][$PF_6$]), which is one of the room temperature ionic liquids (RTILs), via $A^3$ coupling reaction, is characterized by means of x-ray photoelectron spectroscopy (XPS) rather than using conventional organic compound analysis techniques. There are four non-equivalent carbons in RTILs and 1 each. The ratios of normalized integrated areas of the deconvoluted binding energy of core electron of carbon (C1s) peaks are well matched to the number of carbons in those compounds. The binding energies of C1s of the featured carbons in 1, C4 (sp carbons in acetylene group) and C5 ($sp^2$ carbons in benzene ring), are assigned 286.2 and 285.4 eV, respectively. These results will be able to provide an important tool and a new strategy for the analysis of organic molecules

Impact of Cyano and Fluorine Group Functionalization on the Optoelectronic and Photovoltaic Properties of Donor-Acceptor-π-Acceptor Benzothiadiazole Derived Small Molecules: A DFT and TD-DFT Study

  • Prabhat Gautam;Anurag Gautam;Neeraj Kumar
    • 한국재료학회지
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    • 제33권6호
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    • pp.236-241
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    • 2023
  • Solar cells based on p-conjugated donor-acceptor (D-A) organic molecular systems are a promising alternative to conventional electrical energy generation. D-A molecular systems, which have a triphenylamine (TPA) moiety linked with a benzothiadiazole (BTD) moiety, open the potential development of new small molecule donors for bulk heterojunction (BHJ) solar cells. Here, a series of donor-acceptor-π-acceptor (D-A-π-A) small molecule donors (SMD) derived from triphenylamine (TPA) donor and benzothiadiazole (BTD) acceptor building blocks, were designed for BHJ organic solar cells. The small molecule donors SMD1-4 were studied using density functional theory (DFT) and time dependent-DFT (TDDFT) methods, to understand the effect of cyano and fluorine group functionalization on their properties. The effect of structure alteration by cyano and fluorine group functionalization on the optoelectronic properties, the calculated highest occupied molecular orbitals (HOMOs) and lowest unoccupied molecular orbitals (LUMOs) and the HOMO-LUMO gaps were theoretically explored. The Voc (open-circuit photovoltage) and fill factor (FF) for SMD1-4 were obtained with a PC71BM acceptor, which showed that these organic small molecules are potential small molecule donors for organic bulk heterojunction solar cells.

다양한 유기화합물의 비등점 예측을 위한 QSPR 모델 및 이의 적용구역 (QSPR model for the boiling point of diverse organic compounds with applicability domain)

  • 신성은;차지영;김광연;노경태
    • 분석과학
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    • 제28권4호
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    • pp.270-277
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    • 2015
  • 비등점은 유기물의 물리화학적 성질을 특정하는데 있어 매우 근본적 요소 중 하나이다. 그러나 기존의 정량적 구조-물성 상관관계식들은 고에너지 물질 등과 같은 특정 물질 군에 대한 실험값들의 부족 등으로 인해 제한적인 응용성을 가지고 있었다. 본 연구에서는 서로 다른 출처로부터의 5,923개의 비등점 자료를 확보하였으며, 이에는 일반적 유기화합물과 더불어 특수목적을 가지는 분자들을 포함하였고, 이들 수집된 데이터 셋을 이용하여 새로운 비등점 예측모델을 개발하는데 사용하였다. 다양한 학습 방법을 이용하여 새로이 수집된 데이터 셋을 이용한 2차원 분자 표현자에 기반한 비등점 모델을 도출하였다. 개발된 예측모델의 적정성과 견고성을 확인하였고, 훈련 셋의 표현자에 기반한 비등점 예측모델의 적용구역을 도출하였다.

STM을 이용한 자기조립된 니트로기와 메톡시기 유기분자의 전압-전류 특성 연구 (A Study on the Current-Voltage Characteristics of Self-Assembled Nitro-group and Methoxy-group Organic Molecules by Using STM)

  • 김승언;박상현;박재철;신훈규;권영수
    • 대한전기학회:학술대회논문집
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    • 대한전기학회 2004년도 추계학술대회 논문집 전기물성,응용부문
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    • pp.212-214
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    • 2004
  • In this study, we fabricated the organic thin film by self-assembly method by using nitro-group and methoxy-group organic molecule. Also, we selected the organic single molecule in organic thin film and measured current-voltage characteristics by using scanning tunneling microscopy. The Organic molecules that use in an experiment is 4,4'-(diethynylphenyl)-2'-nitro-1-benzen ethiol and 4-[2,5-dimethoxy-4-ph enylethynylphenyl]ethynylphenylethanthiol. 4,4'-(dimet hynylphenyl)-2'-nitro-1-benzenethiol is applied widely in molecular electronic device and 4-[2,5-dime thoxy-4-phenylethynylphenyl]ethynylphenylethanthiol composed in Korea Research Institute of Chemical Technology. To be confirmed the formation of the self-assembled monolayers, we observed the real time frequency shift of the QCM and investigated surface of the self-assembled monolayers the using STM. With this, we measured current to the organic single molecule, in condition of the air state. As a result, we confirmed in constant voltage that properties of negative differential resistance. Using properties of negative differential resistance to get from this study, application is expected to be molecular switching device, memory device and logic device.

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All-Organic Nanowire Field-Effect Transistors and Complementary Inverters Fabricated by Direct Printing

  • 박경선;성명모
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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    • pp.632-632
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    • 2013
  • We generated single-crystal organic nanowire arrays using a direct printing method (liquidbridge- mediated nanotransfer molding) that enables the simultaneous synthesis, alignment and patterning of nanowires from molecular ink solutions. Using this method, single-crystal organic nanowires can easily be synthesized by self-assembly and crystallization of organic molecules within the nanoscale channels of molds, and these nanowires can then be directly transferred to specific positions on substrates to generate nanowire arrays by a direct printing process. The position of the nanowires on complex structures is easy to adjust, because the mold is movable on the substrates before the polar liquid layer, which acts as an adhesive lubricant, is dried. Repeated application of the direct printing process can be used to produce organic nanowire-integrated electronics with twoor three-dimensional complex structures on large-area flexible substrates. This efficient manufacturing method is used to fabricate all-organic nanowire field-effect transistors that are integrated into device arrays and inverters on flexible plastic substrates.

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Macroscopic Nonlinear Optical Properties of Tricyanopyrrolidene Chromophore Containing Amorphous Polycarbonate: Effect of Molecular Lateral Moiety in the Conjugative Structure

  • Cho, Min-Ju;Lee, Sang-Kyu;Jin, Jung-Il;Choi, Dong-Hoon
    • Macromolecular Research
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    • 제14권6호
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    • pp.603-609
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    • 2006
  • Tricyanopyrrolidene chromophores were prepared in order to compare their macroscopic nonlinear optical (NLO) properties with a conjugated structure through the long molecular axis. A thiophene or phenyl ring was tethered to an ethylenic bond; it may act as a lateral moiety to disrupt the planarity of a chromophore and lessen the electrostatic interaction. Thin film composites of these chromophores dissolved in amorphous polycarbonate (APC) were fabricated. Real time pole and probe method was employed to investigate the change of electro-optic (EO) signal during poling. The EO properties and their relaxation behaviors of the guest-host systems containing newly synthesized chromophores were investigated in detail.

Mixed-Island Formation and Electronic Structure of Metallo-Porphyrin Molecules on Au(111)

  • 김호원;정경훈;강세종
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2011년도 제40회 동계학술대회 초록집
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    • pp.303-303
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    • 2011
  • Orderings and electronic structures of organic molecules on metal substrates have been studied due to possible applications in electronic devices. In molecular systems, delocalized pi-electrons play important roles in the adsorption behaviors and electronic structures. We studied the adsorption and electronic structures of Co-Porphyrin molecules on Au(111) using scanning tunneling microscopy (STM) and spectroscopy (STS) at low temperature. Molecules form closely packed two-dimensional islands on Au(111) surface with two different types, having different shape evolutions in our energy-dependent STM observations. The Kondo resonance state, occurred by spin exchange interaction between the Co center atom and conduction electrons in the metal substrate, was observed in one type, while it was absent in the other type in scanning tunneling spectroscopy measurements. Possible origins of two molecular shapes will be discussed.

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