• 제목/요약/키워드: intermolecular interactions

검색결과 105건 처리시간 0.03초

Study of Effect of Lateral Intermolecular Interaction on Multilayer Physical Adsorption of Gas

  • Han, Sang-Hwa;Lee, Jo W.;Pak, Hyung-Suk;Chang, Sei-Hun
    • Bulletin of the Korean Chemical Society
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    • 제1권4호
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    • pp.117-121
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    • 1980
  • The effect of lateral intermolecular interactions among the adsorbate molecules has been incorporated into the theory of multilayer physical adsorption developed previously by the present authors within the frame of Bragg-Williams approximation and the resulting adsorption isotherm has been used to interpret the adsorption data of tetramethylsilane vapor on clean iron film which we failed to account for in our previous works. The result has shown that up to the point where the relative pressure is about 0.7 considerable improvement is obtained but beyond this point there still remains large difference between theoretical and experimental isotherm. Such difference is supposed to arise from the neglect of effect of vertical interaction between the adsorbate molecules and the adsorbent surface.

Studies of Inter/intramolecular Weak Interactions with CH… S; and S…arene Interaction in Symmetrical and Dissymmetrical Models

  • Dubey, Rashmi;Tewari, Ashish K.;Ravikumar, K.;Sridhar, B.
    • Bulletin of the Korean Chemical Society
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    • 제31권5호
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    • pp.1326-1330
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    • 2010
  • Evidences have proved the versatile role of sulfur atom in supramolecular chemistry. $^1$Presence of S atom in the molecule usually results in the specific structural properties of molecules. In the present study, $S{\cdots}arene$, $N{\cdots}arene$, $CH{\cdots}{\pi}$, $CH{\cdots}S$ and $CH{\cdots}N$ type of weak interactions stabilize the conformation and self assembly of symmetrical as well as dissymmetrical molecules.

액체질소온도에서 매트릭스에 의해 격리된 아세토니트릴 분자의 진동주파수에 미치는 분자간 수소결합의 영향에 관한 연구 (Studies on the effect of the intermolecular hydrogen bonding on the vibrational frequencies of the acetonitrile under matrix isolation conditions at liquid-$N_2$ temperature)

  • 마금자;정종학;정기호
    • 분석과학
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    • 제7권1호
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    • pp.79-89
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    • 1994
  • 메트릭스 격리 분광법으로 적외선 흡수 스펙트럼을 구하여 아세토니트릴과 다른 유기분자로서 퓨란, 피롤, 피롤리딘, 티오펜, 테트라하이드로티오펜 및 아세트알데히드 등과의 상호작용에 대하여 조사하였다. 매트릭스 물질로는 Xe을 주로 사용하였다. 아세토니트릴은 피롤 및 티오펜과는 상호작용을 강하게 하고, 피롤리딘 및 아세트알데히드와는 상호작용이 거의 없는 것으로 관찰되었다.

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Controlling Intermolecular Interactions, Optical Property, and Charge Transport in Conjugated Polyelectrolytes for Applications in Opto-electronics Devices

  • Nguyen, Thuc-Quyen;Garcia, Andres;Yang, Renqiang;Bazan, Guillermo
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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    • pp.229-229
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    • 2006
  • Recently there has been significant interest in utilizing functional semiconductor polymers for electronic and opto-electronic devices such as Light-emitting diodes, thin film field effect transistors, solar cells, displays, and chemical and biosensors. However, better materials and further understanding of their electronic properties are critical for devices based on these materials. In this work, we use various scanning probe techniques, spectroscopy, and device fabrication to study the molecular interactions, optical and charge transport properties in conjugated polyelectrolytes. Using chemical synthesis approach, we are able to tune the molecular packing and interactions in these materials, which in turn, influence their electronic properties and device performance.

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Efficient Carbonization of ABS Rubber via Iodine Doping

  • Park, Chiyoung;Kim, Chae Bin
    • Elastomers and Composites
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    • 제57권1호
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    • pp.9-12
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    • 2022
  • Herein, a facile approach for the development of effective and low-cost carbon precursors from acrylonitrile-butadiene-styrene (ABS) rubber is reported. ABS rubber with a negligible char yield can be converted into an excellent carbon precursor with approximately 54% char yield under a nitrogen atmosphere at 800℃ by simple iodine doping and subsequent heating at 110℃ under an inert atmosphere. The enhanced char yield is attributed to the improved intermolecular interactions between the ABS chains caused by the formation of covalent bonds between the butadiene segments, along with the newly developed charge-charge interactions and other indiscriminate radical-radical couplings. The charges and radicals involved in these interactions are also generated by iodine doping. We believe that this study will be useful for the development of low-cost carbon precursors.

미세유체 칩 내에서 유전영동 집게(Dielectrophoretic Tweezers) 를 이용한 단백질A와 면역 글로불린 G의 결합에 관한 연구 (Investigation of the Binding Force between Protein A and Immunoglobulin G Using Dielectrophoretic(DEP) Tweezers Inside a Microfluidic Chip)

  • 곽태준;이재우;윤대성;이상우
    • 대한의용생체공학회:의공학회지
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    • 제34권3호
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    • pp.123-128
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    • 2013
  • The 'Dielectrophoretic Tweezers(DEP Tweezers)' can be used as a facile, economical toolkit for quantitative measurement of chemical and biological binding forces related to many biological interactions within a microfluidic device. Our experimental setup can probe the interaction between a single receptor molecule and its specific ligand. Immunoglobulin G(IgG) functionalized on polystyrene microspheres has been used to detect individual surface linked Staphylococcus protein A(SpA) molecules and to characterize the strength of the noncovalent IgG-SpA bond. It was measured and compared with the existing measurements. Measured single binding force of between Goat, Rabbit IgG and SpA were $17{\pm}7pN$, $74{\pm}16pN$. This work can be used to investigate several different ligand-receptor interactions and antigen-antibody interactions.

Photo-induced inter-protein interaction changes in the time domain; a blue light sensor protein PixD

  • Terazima, Masahide
    • Rapid Communication in Photoscience
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    • 제4권1호
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    • pp.1-8
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    • 2015
  • For understanding molecular mechanisms of photochemical reactions, in particular reactions of proteins with biological functions, it is important to elucidate both the initial reactions from the photoexcited states and the series of subsequent chemical reactions, e.g., conformation, intermolecular interactions (hydrogen bonding, hydrophobic interactions), and inter-protein interactions (oligomer formation, dissociation reactions). Although time-resolved detection of such dynamics is essential, these dynamics have been very difficult to track by traditional spectroscopic techniques. Here, relatively new approaches for probing the dynamics of protein photochemical reactions using time-resolved transient grating (TG) are reviewed. By using this method, a variety of spectrally silent dynamics can be detected and such data provide a valuable description about the reaction scheme. Herein, a blue light sensor protein TePixD is the exemplar. The initial photochemistry for TePixD occurs around the chromophore and is detected readily by light absorption, but subsequent reactions are spectrally silent. The TG experiments revealed conformational changes and changes in inter-protein interactions, which are essential for TePixD function. The TG experiments also showed the importance of fluctuations of the intermediates as the driving force of the reaction. This technique is complementary to optical absorption detection methods. The TG signal contains a variety of unique information, which is difficult to obtain by other methods. The advantages and methods for signal analyses are described in detail in this review.

Lattice Vibrational Calculation of Orthorhombic Hydrogne Chloride

  • 노경태;전무식
    • Bulletin of the Korean Chemical Society
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    • 제6권4호
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    • pp.183-186
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    • 1985
  • The lattice vibrational calculation of orthorhombic hydrogen chloride is performed using physically realistic potential function which can reproduce the X-ray structure and heat of sublimation of the low temperature phase. The polar coordinates representation is introduced in order to describe the intermolecular interactions in a molecular crystal. The splitting in internal modes is calculated as 49 $cm^{-1}$ and the other modes are in good agreement with experimental results.

Mechanical Properties of Cement Mortar: Development of Structure-Property Relationships

  • Ghebrab, Tewodros Tekeste;Soroushian, Parviz
    • International Journal of Concrete Structures and Materials
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    • 제5권1호
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    • pp.3-10
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    • 2011
  • Theoretical models for prediction of the mechanical properties of cement mortar are developed based on the morphology and interactions of cement hydration products, capillary pores and microcracks. The models account for intermolecular interactions involving the nano-scale calcium silicate hydrate (C-S-H) constituents of hydration products, and consider the effects of capillary pores as well as the microcracks within the hydrated cement paste and at the interfacial transition zone (ITZ). Cement mortar was modeled as a three-phase material composed of hydrated cement paste, fine aggregates and ITZ. The Hashin's bound model was used to predict the elastic modulus of mortar as a three-phase composite. Theoretical evaluation of fracture toughness indicated that the frictional pullout of fine aggregates makes major contribution to the fracture energy of cement mortar. Linear fracture mechanics principles were used to model the tensile strength of mortar. The predictions of theoretical models compared reasonably with empirical values.

Investigation on Polyacrylonitrile/Cellulose Acetate Blends

  • Barani, Hossein;Bahranmi, Seyad Hajir
    • Macromolecular Research
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    • 제15권7호
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    • pp.605-609
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    • 2007
  • The molecular interactions of polyacrylonitrile (PAN) and cellulose acetate (CA) were investigated thoroughly via dilute solution viscometry in dimethylformamide (DMF) as a common solvent at $30^{\circ}C$. The intrinsic viscosities and viscometric interaction parameters were experimentally determined for both binary (polymer/dimethylformamide) and ternary (PAN/CA/dimethylformamide) systems. As all investigated PAN/CA ternaries evidenced negative viscometric interaction parameter values $({\Delta}b\;&{\Delta}k<0)$, the existence of repulsive intermolecular interactions was deduced, and PAN/CA blends were assigned as immiscible. Moreover, the results of microscopy photograph analysis indicated that pure PAN film evidences a homophasic structure, and the size of the phase domain increases gradually with increases in CA. In DSC analysis, it was determined that the glass transition temperature of the blend film increased slightly with increases in the CA content of the blend film.