• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Study on the Molecular Motion in Organic Thin Film using Spin Probe Method and Molecular Dynamics

Research Project

Project/Area Number 08650971
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field 工業物理化学
Research InstitutionTokyo Institute of Technology

Principal Investigator

SUGA Kosaku  Tokyo Institute of Technology, Faculty of Bioscience and Biotechnology, Research Associate (90016642)

Co-Investigator(Kenkyū-buntansha) SAKURAI Minoru  Tokyo Institute of Technology, Associate Professor (50162342)
Project Period (FY) 1996 – 1998
Project Status Completed (Fiscal Year 1998)
Budget Amount *help
¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 1998: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 1997: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 1996: ¥900,000 (Direct Cost: ¥900,000)
Keywordsspin probe method / doxyl stearic acid / molecular dynamics / spectral simulation / Langmuir Blodgett膜 / 相分離 / 電子スピン共鳴 / Langmuir-Blodgett膜 / キャスト膜 / 分子配向角度分布 / 異方性回転運動
Research Abstract

(1). Elucidation of orientation and molecular motion of amphiphilic molecules in LB films by spin probe method.
Electron spin resonance spectra for the Langmuir-Blodgett (LB) films of 5-, 10-, and 16-doxylstearic acids (DXSTAs) and their mixtures with stearic acid (STA) complexed with polyallyl-amine were measured at various angles between the applied magnetic field and the film normal at various temperatures, From the angle dependence at the liquid nitrogen temperature where molecular motion can be neglected, accurate molecular orientation and its distribution were determined. From the temperature dependence, it was shown that end part of methylene chain did molecular motion, while the orientation regularity is kept in these LB films.
(2). Elucidation of orientation and molecular motion of amphiphilic molecules in cast films by spin probe method.
The spin probe method was applied to cast films of the tetraalkylammonium chloride with two long methylene chains. From the angular variation a … More nd the temperature dependence of the ESR spectra, it was shown that the isotropic motion was carried out by the tail part of methylene chain, while the motion of the methylene chain kept the orientation in the vicinity of the headgroup in these cast films.
(3). Control of phase separation condition of mixed LB films containing probe molecules.
It was found that in mixed LB films containing doxylstearic acid and perfluorodecanoic acid phase separation did not occur when the position of doxyl unit is closer to head group. Since the molecular occupation area of the probe molecule in monomolecular film on water surface increases due to the steric hinderance as the probe position approaches to the hydrophilic group, it was suggested that that decrease in the in-plane cohesion force between probe molecules was a main cause for the phase separation characteristics of such probe molecule.
(4). Simulation of the molecular motion in organic thin films using molecular dynamics method
The calculation program of such system by the molecular dynamics method which had advanced the improvement until now reached the level which can be almost used for actual research. As the result, it is expected that detailed information can be obtained on the molecular motion in these organic thin films from the ESR spectra of LB films containing spin probe molecules and their analysis with this program. Less

Report

(4 results)
  • 1998 Annual Research Report   Final Research Report Summary
  • 1997 Annual Research Report
  • 1996 Annual Research Report
  • Research Products

    (24 results)

All 1998 1997 1996 Other

All Journal Article (11 results) Publications (13 results)

  • [Journal Article] Phase Separation of Mixed LB Films Containing Spin Probe Molecules1998

    • Author(s)
      菅 耕作
    • Journal Title

      Thin Solid Films 329

      Pages: 837-841

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Journal Article] Effect of Various Cations on the Acidity of p-Sulfonatocalixarenes.1998

    • Author(s)
      菅 耕作
    • Journal Title

      Supramolecular Science 5

      Pages: 9-14

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Journal Article] 純水電解における活性ラジカル種生成機構のスピントラッピング法による研究1998

    • Author(s)
      菅 耕作
    • Journal Title

      電気化学および工業物理化学 66

      Pages: 856-858

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Journal Article] Molecular Dynamics Simulation of Water between Hydrophobic Surfaces lmplication for the Long-Range Hvdrphobic Force.1998

    • Author(s)
      櫻井 実
    • Journal Title

      Chem. Phys. Lett. 289

      Pages: 567-571

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Journal Article] Effect of Various Cations on the Acidity of p-Sulfonato calixarenes1998

    • Author(s)
      Kosaku Suga, Takuya Ohzono, Makoto Negishi, Kouji Deuchi, Yutaka Morita
    • Journal Title

      Supramolecular Science 5

      Pages: 9-14

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Journal Article] Molecular-Dynamics Simulation of Water between Hydrophpbic surfaces. Implication for the Long-Range Hydrophobic Force1998

    • Author(s)
      M. Sakurai, H. Tamagawa, T. Kunitake, Y. Inoue
    • Journal Title

      Chem. Phys. Lett 289

      Pages: 567-571

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Journal Article] Phase Separation of Mixed LB Films containing Spin Probe Molecules1998

    • Author(s)
      K, Suga, Y. Iwamoto, H. Shibata, N. Yamada, M. Fujihara
    • Journal Title

      Thin Solid FiIms 329

      Pages: 837-841

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Journal Article] Molecular-Dynamics study of Aqueous Solution of Trehalose and Maltose : Implication for the Biological Function of Trehalose1997

    • Author(s)
      櫻井 実
    • Journal Title

      Bull. Chem. Soc. Jpn 70

      Pages: 847-858

    • NAID

      10008917662

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Journal Article] Moleculer-Dynamics Study of A queous Solution of Trehalose and Maltose : Implication for the Biological Function of Trehalose1997

    • Author(s)
      M. Sakurai, M. Murata, Y. Inoue, A. Hino, S. Kobayashi
    • Journal Title

      Bull. Chem. Soc. Jpn. 70

      Pages: 847-858

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Journal Article] Application of the Spin Probe Method to Cast Films of Amphiphiles1996

    • Author(s)
      菅 耕作
    • Journal Title

      Colloids and Surfaces A 115

      Pages: 23-30

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Journal Article] Apllication of the Spin Probe Method to Cast Films of Amphiphiles1996

    • Author(s)
      Yutaka Iwamoto, Kosaku Suga, Masamichi Fujihira
    • Journal Title

      Colloids and Surfaces A 115

      Pages: 23-30

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] 菅 耕作: "Phase Separation of Mixed LB Films Containing Spin Probe Molecules" Thin Solid Films. 329. 837-841 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 菅 耕作: "Effect of Various Cations on the Acidity of p-Sulfonatocalixarenes." Supramolecular Science. 5. 9-14 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 菅 耕作: "純水電解における活性ラジカル種生成機構のスピントラッピング法による研究" 電気化学および工業物理化学. 66. 856-858 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 櫻井 実: "Molecular Dynamics Simulation of Water between Hydrophobic Surfaces.Implication for the Long-Range Hydrophobic Force." Chem.Phys.Lett.289. 567-571 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 櫻井 実: "Infrared Spectroscopic Study on the Structural Property of a Trehalose-Water Complex" Chem.Lett.759-760 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 櫻井 実: "A Solid-State ^<31>P NMR Study of the Interaction between Trehalose and DPPC Bilayer" Chem.Lett.713-714 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 櫻井 実: "A New Simulated Annealing Method Combined with a Polarizable Continuum Model Based on the Boundary Element Method" Chem.Phys.Lett.291. 137-142 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 菅 耕作: "Phase Separation of Mixed LB Films Containing Spin Probe Molecules" Thin Solid Films. (印刷中). (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] 菅 耕作: "Effect of Various Cations on the Acidity of p-Sulfonatocalixarenes." Supramolecular Science. 5(印刷中). (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] 櫻井 実: "A Theoretical Study of Intermolecular Interaction at the Lipid-Water Interface. I Quantum Chemical Analysis Using a Reaction Field Theory" J.Phys.Chem.B. 101. 4810-4816 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] 櫻井 実: "A Theoretical Study of Intermolecular Interaction at the Lipid-Water Interface. II Analysis Based on the Poisson-Boltzmann Equation" J.Phys.Chem.B. 101. 4817-4825 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] 櫻井 実: "Density Functional Study ofthe Radical Reactions of 3-methyl-1-phenyl-2-pyrazolin-5-one" Bull.Chem.Soc.Jpn.70. 847-858 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] 菅 耕作: "Application of the spin probe method to cast films of amphiphiles" COLLOIDS AND SURFACES. 115. 23-30 (1996)

    • Related Report
      1996 Annual Research Report

URL: 

Published: 1996-04-01   Modified: 2016-04-21  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi