• 제목/요약/키워드: Intermolecular interactions

검색결과 105건 처리시간 0.032초

Experimental Determinations of Coherent Multidimensional Vibrational Spectroscopy

  • Besemann, Daniel;Condon, Nicholas;Meyer, Kent;Zhao, Wei;Wright, John C.
    • Bulletin of the Korean Chemical Society
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    • 제24권8호
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    • pp.1119-1125
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    • 2003
  • Coherent multidimensional vibrational spectroscopy is a new technique for establishing correlations between features in vibrational spectra that are caused by intra- and intermolecular interactions. These interactions cause cross-peaks between vibrational transitions that reflect the coupling. In this paper, we use Doubly Vibrationally Enhanced Infrared Spectroscopy (DOVE-IR) and DOVE-Raman processes to obtain coherent two dimensional vibrational spectra. The spectra are fitted to obtain the dephasing rates and third order susceptibilities $(χ^{(3)})$ for the nonlinear processes. We show that the DOVE $χ^{(3)}$ values are directly related to the molar absorptivities and Raman $χ^{(3)}$. We then use these relationships to obtain estimates for the $χ^{(3)}$ of the stimulated photon echo and $χ^{(5)}$ of the six wave mixing spectroscopies, respectively. We also predict the ratio of the cascaded four wave mixing signal to the six wave mixing signal.

Thermophysical Properties of Acetophenone with Ethylchloroacetate at Temperatures of 303.15, 313.15 and 323.15 K

  • Saravanakumar, K.;Baskaran, R.;Kubendran, T.R.
    • 대한화학회지
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    • 제56권4호
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    • pp.424-430
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    • 2012
  • Densities, viscosities, refractive indices and speed of sounds of the binary mixtures of Acetophenone with Ethylchloroacetate were measured over the entire mole fractions at (303.15, 313.15 and 323.15) K. From these experimental results, excess molar volume $V^E$, viscosity deviation ${\Delta}{\eta}$, refractive index deviation ${\Delta}n_D$, deviations in speed of sound ${\Delta}u$, deviations in isentropic compressibility ${\Delta}k_s$ and excess intermolecular free length ${\Delta}L_f$ were calculated. The viscosity data have been correlated with the equations of Grunberg and Nissan, Hind et al., Tamura and Kurata, Katti and Chaudri, Sedgwick, Krishnan-Laddha and McAllister. The thermo physical properties under study were fit to the Jouyban-Acree model. The excess values were correlated using Redlich-Kister polynomial equation to obtain their coefficients and standard deviations. It was found that in all cases, the data obtained fitted with the values correlated by the corresponding models very well. The results are interpreted in terms of molecular interactions occurring in the solution.

DSC와 FTIR을 이용한 상용성 (폴리부틸렌나프탈레이트/폴리비닐페놀) 블렌드의 연구 (DSC and FTIR Studies of Miscible Poly(butylene 2,6-naphthalate)/Poly(4-vinylphenol) Blends)

  • 이준열;한지영
    • 폴리머
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    • 제26권6호
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    • pp.737-744
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    • 2002
  • 결정성 폴리부틸렌나프탈레이트 (PBN)와 비결정성 폴리비닐페놀 (PVPh)로 구성된 2 성분계 고분자 블렌드의 열역학적 상용성을 시차주사열분석 (DSC)과 푸리에변환 적외선 (FTIR) 분광분석으로 조사하였다. PBN/PVPh 블렌드의 DSC 측정 결과로부터 블렌드 전 조성에서 단일 유리전이온도 (T$_{g}$ )가 확인되었으며, 블렌드 내의 PVPh 조성이 증가함에 따라 PBN 결정질의 용융점(T$_{m}$ ) 강하가 관찰되었다. 고분자 블렌드의 단일 T$_{g}$ 및 T$_{m}$ 강하 현상은 PBN/PVPh 블렌드가 분자 수준에서의 열역학적 상용성이 있음을 보여준다. PBN의 에스테르 카르보닐기와 PVPh의 히드록실기 사이에 강한 분자 간 수소결합이 형성됨을 FTIR 분석에 의하여 확인할 수 있었다.

Regioselective 1,3-Dipolar Cycloaddition and 1,2-Addition between Benzaldoxime NH-nitrone and Perfluoro-2-methyl-2-pentene

  • Lee, Chan-Woo;Park, Joo-Yuen;Kim, Hyun-Uk;Chi, Ki-Whan
    • Bulletin of the Korean Chemical Society
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    • 제31권5호
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    • pp.1172-1176
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    • 2010
  • Regioselective perfluorinated [3+2] cycloadducts and 1,2-adducts have been prepared by 1,3-dipolar cycloaddition between benzaldoxime NH-nitrone and perfluorinated alkene, perfluoro-2-methyl-2-pentene. Although the cycloaddition reaction is carried out at room temperature, the corresponding perfluorinated compounds are effectively produced in a high yield. In particular, the methoxy-substituted adducts (4 and 7a) show the self-assembled structure by intermolecular interactions. These derivatives were characterized by IR, $^1H$ and $^{19}F$ NMR, and the absolute structure of perfluorinated adducts was confirmed by X-ray crystallography.

Crystal Structure of 3-Methyl-4-Methoxy-4'-Nitrostilbene

  • 서일환;김문집
    • 한국결정학회지
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    • 제3권2호
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    • pp.67-71
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    • 1992
  • The crystal structure of the title compound was determined from single crystal X-ray dirt fraction study : C16H16NO3, Mr=271.316, orthorh ombic, Aba2, a=15.750(3), b=13.470(2), c=13.356 (2) A, V=2833A, Z=8, Dx=1.26 Mgm-3, λ(MoK a) =0.71069A, r=0.51mm-2, F(000)=1136, T=291 K, R=0.0414 for 728 unique observed [F≥3e(F)] reflections and 240 parameters. The molecule is nearly planar within 0.2 A with the torsion angle -179(2)°for C(4)-C(7)-C(8)-C(9).The into rmolecular interactions are mainly by van der Waals force with the nearest intermolecular distance 3.647A between O(3) and C(4) translated by half unit along band c-axes.

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Recent Advances in Electron Crystallography

  • Chung, Jeong Min;Lee, Sangmin;Jung, Hyun Suk
    • Applied Microscopy
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    • 제47권3호
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    • pp.160-164
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    • 2017
  • Electron crystallography has been used as the one of powerful tool for studying the structure of biological macromolecules at high resolution which is sufficient to provide details of intramolecular and intermolecular interactions at near-atomic level. Previously it commonly uses two-dimensional crystals that are periodic arrangement of biological molecules, however recent studies reported a novel technical approach to electron crystallography of three-dimensional crystals, called micro electron-diffraction (MicroED) which involves placing the irregular and small sized protein crystals in a transmission electron microscope to determine the atomic structure. In here, we review the advances in electron crystallography techniques with several recent studies. Furthermore, we discuss the future direction of this structural approach.

From Gas Phase Clusters to Nanomaterials: An Overview of Theoretical Insights

  • Kim, Kwang-S.
    • Bulletin of the Korean Chemical Society
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    • 제24권6호
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    • pp.757-762
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    • 2003
  • Since theoretical investigations of gas phase clusters enable the evaluation of intrinsic molecular properties and intermolecular interactions, one can predict the macroscopic properties of bulk matter, from a microscopic determination of the properties of individual atoms, molecules, or clusters. Based on the insights obtained from theoretical investigations of the properties of a large number of cluster systems (ranging from simple water clusters to large π-systems), we have investigated the properties of various novel molecular systems including endo/exohedral fullerenes, nanotori, nonlinear optical materials, ionophores/receptors, polypeptides, enzymes, organic nanotubes, nanowires, and electronic and nano-mechanical molecular devices. The present minireview highlights some of the interesting results obtained in the course of our extensive theoretical investigations of clusters and nanomaterials.

종양 억제 인자, Merlin의 FERM 도메인과 C-말단 도메인간의 결합 (Interaction of FERM Domain of Tumor Suppressor, Merlin to its C-terminal Domain.)

  • 강범식;오정일
    • 생명과학회지
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    • 제17권9호통권89호
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    • pp.1303-1307
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    • 2007
  • A tumor suppressor, merlin is a member of ERM family proteins. It consists of N-terminal FERM domain, ${\alpha}-helical$ region, and C-terminal domain. Alternative splicing of merlin's mRNA generates two isotypes of merlin. Isotype I, which has exon17 at the C-terminus instead of exon16 in isotype II, is known to have tumor suppressor activity. Like other ERM proteins, the C-terminal domain of merlin isotype I interacts to its FERM domain. That of isotype II, however, was reported not to bind FERM domain despite the large common part of C-terminal domain, which possibly binds FERM domain. Here, we show the binding of FERM domain to both C-terminal domains of merlin's two isotypes by isothermal titration calorimetry. These results support that merlin isotype II also can form a closed conformation or a multimer by intramolecular or intermolecular interactions using their FERM domain and C-terminal domain.

방향족 치환기의 소수성 사슬을 갖는 양이온 계면활성제의 합성과 이의 물리화학적 특성 연구 (Synthesis and Their Physical Properties of Cationic Surfactants bearing Hydrophobic Chains of Aromatic Subtituents)

  • 안범수
    • 한국응용과학기술학회지
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    • 제30권3호
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    • pp.380-386
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    • 2013
  • N,N,N-Trimethyl-10-nitrophenoxy decylammonium bromide (N10TAB) and N,N,N,N-Tetramethyl-bis-[10-nitrophenoxy decyl]-1,6-hexanediammonium dibromide (N10-6-10N), bearing aromatic nitrophenoxy group in the end of their hydrophobic chains have been prepared, and their properties in aqueous solutions have been studied by conductivity and H-NMR spectroscopy. Below the critical micelle concentration N10-6-10N form premicelle with two or three surfactant molecules. Beyond the critical micelle concentration two molecules have strong self-aggregation ability and form micelles of rather small size and with small aggregation numbers. H-NMR at different concentrations give the informations on the environmental changes of the surfactants on their micellization progress.

Complex Ordering of Supramolecular Dendrimers in Confined Geometries.

  • Yoon, Dong-Ki;Choi, Myung-Chul;Kim, Yun-Ho;Kim, Mahn-Won;Jung, Hee-Tae
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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    • pp.189-189
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    • 2006
  • The self-assembly of supramolecular dendrimers allows the rapid construction of nanosized structures with regularly ordered features that depend on the shape of the molecules and the relative strength of the intra-and intermolecular interactions. Here we report on a dramatic improvement in the degree of control and selectivity in the orientation of fan-shaped supramolecular molecules over a large area, which has been achieved by confined geometries and applied fields. The order and orientation of supramolecular dendrimers can be controlled by surface anchoring in confined geometries. POM, SEM, TEM, AFM and XRD results show that the molecules form the complicated defect-ordering in the microchannels with different feature sizes. We show that these defect domains are strongly influenced by the boundary and feature size of the surfaces. This technique can be used to create a grain size in the plane of the film that is much larger than that which can be achieved using previously reported soft-material based pattering.

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