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Intramolecular and Intermolecular Interactions of Polymers with Heteroatoms

Research Project

Project/Area Number 14550842
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field 高分子構造・物性(含繊維)
Research InstitutionChiba University

Principal Investigator

SASANUMA Yuji  Chiba University, Faculty of Engineering, Department of Applied Chemistry and Biotechnology, Associate Professor, 工学部, 助教授 (30205877)

Project Period (FY) 2002 – 2003
Project Status Completed (Fiscal Year 2003)
Budget Amount *help
¥3,100,000 (Direct Cost: ¥3,100,000)
Fiscal Year 2003: ¥700,000 (Direct Cost: ¥700,000)
Fiscal Year 2002: ¥2,400,000 (Direct Cost: ¥2,400,000)
Keywordsintramolecular and intermolecular interactions / conformation / polyether / polysulfide / polyimine / polysilane / polymer liquid crystal / lyotropic liquid crystal / 溶融高分子 / 液晶 / 分子内相互作用 / 分子間相互作用
Research Abstract

(1)Intramolecular Interactions of Polysulfides
Conformational characteristics of poly(ethylene sulfide) and poly(propylene sulfide) in the theta state have been investigated by NMR experiments and ab initio molecular orbital (MO) calculations for the monomeric model compounds and RIS analysis of configuration-dependent properties of the polymers, and compared with those off the corresponding polyethers. The high melting points of the polysulfides have been elucidated in terms of configuration entropy and intermolecular interactions.
(2)Conformational Analysis of Poly(ethylene imine) (PEI)
Conformational energies of PEI have been evaluated from MO calculations and NMR experiments for its monomeric model compound, N,N'-dimethylethylenediamine. The chain dimension of PEI was calculated as a function of the hydrogen-bond energy. The enthalpy of the intermolecular hydrogen bond formed in the double-stranded helix was also estimated from MO calculations.
(3)Conformational Analysis of Polysilanes
Conformational characteristics of poly(di-n-butylsilane), poly(di-n-hexylsilane), and poly(methyl-n-propylsilane) have been investigated by a rotational isomeric state scheme with molecular dynamics simulations. Characteristic ratios thus calculated were in fairly good agreement with those determined by light scattering. The phase transition, solubility, and UV absorption of the polysilanes were successfully correlated with the conformational characteristics.
(4)Conformational Analysis of Model Compounds of Polymer Liquid Crystals
Structure-property correlations of model compounds of oligomer to polymer liquid crystals have been investigated by thermal analysis, X-ray diffraction, deuterium NMR, etc. Conformational characteristics of 1-butanol incorporated, not only in a lyotropic liquid crystal of sodium octanoate, 1-butanol, and water but also in a nematic liquid crystal have been investigated by deuterium NMR.

Report

(3 results)
  • 2003 Annual Research Report   Final Research Report Summary
  • 2002 Annual Research Report
  • Research Products

    (20 results)

All Other

All Publications (20 results)

  • [Publications] Yuji Sasanuma: "Conformational Characteristics of Poly(ethylene sulfide) and Poly(ethylene oxide) : Solvent Dependence of Attractive and Repulsive Gauche Effects"Macromolecules. 35. 3748-3761 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] 笹沼裕二: "ポリエーテルが形成する弱い水素結合"高分子加工. 51. 218-223 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma: "Conformational Analysis of Poly(propylene sulfide)"Macromolecules. 35. 8216-8226 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma: "Conformational Analysis of Poly(di-n-butylsilane), Poly(di-n-hexylsilane), and Roly(methyl-n-propylsilane) by a Rotational Isomeric State Scheme with Molecular Dynamics Simulations"J.Phys.Chem.B. 107. 11852-11860 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma: "Conformational Peculiarities of Alcohols Incorporated in Lyotropic and Thermotropic Liquid Crystals"Langmuir. 20. 665-672 (2004)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma: "Structure-Property Correlations in Model Compounds of Oligomer Liquid Crystals"J.Phys.Chem.B. 108(発表予定). (2004)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma: "Intramolecular Interactions of Polyethers and Polysulfides, Investigated by NMR, Ab Initio Molecular Orbital Calculations, and Rotational Isomeric State Scheme : An Advanced Analysis of NMR Data", In Annual Reports on NMR Spectroscopy Vol.49 ; Web, G.A., Ed(執筆分)第5章"Academic Press (Elsevier Science) : Oxford, UK. 68 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma, Hajime Ohta, Ikuko Touma, Hiroki Matoba, Yugo Hayashi, Akira Kaito: "Conformational Characteristics of Poly(ethylene sulfide) and Poly(ethylene oxide): Solvent Dependence of Attractive and Repulsive Gauche Effects"Macromolecules. 35(9). 3748-3761 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma, Yugo Hayashi, Hiroki Matoba, Ikuko Touma, Hajime Ohta, Misa Sawanobori, Akira Kaito: "Conformational Analysis of Poly(propylene sulfide)"Macromolecules. 35(21). 8216-8226 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma, Haruhisa Kato, Akira Kaito: "Conformational Analysis of Poly(di-n-butylsilane), Poly(di-n-hexylsilane), and Poly(methyl-n-propylsilane) by a Rotational Isomeric State Scheme with Molecular Dynamics Simulations"J.Phys.Chem.B.. 107(43). 11852-116860 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma, Futoshi Nishimura, Hiroaki Wakabayashi, Akihiro Suzuki: "Conformational Peculiarities of Alcohols Incorporated in Lyotropic and Thermotropic Liquid Crystals"Langmuir. 20(3). 665-672 (2004)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma, Tetsushi Ono, Yoshihiko Kuroda, Emi Miyazaki, Ken Hikino, Jun Arou, Kohji Nakata, Hideaki Inaba, Ken-ichi Tozaki, Hideko Hayashi, Kentaro Yarnaguchi: "Structure-Property Correlations in Model Compounds of Oligomer Liquid Crystals"J.Phys.Chern.B. (to be published). (2004)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma: "Intramolecular Interactions of Polyethers and Polysulfides, Investigated by NMR, Ab Initio Molecular Orbital Calculations, and Rotational Isomeric State Scheme: An Advanced Analysis of NMR Data"Annual Reports on NMR Spectroscopy Vol.49(Web, G.A., Ed.)(Academic Press (Elsevier Science): Oxford, UK). Vol.49. 213-280 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Yuji Sasanuma: "Conformational Analysis of Poly(di-n-butylsilane), Poly(di-n-hexylsilane), and Poly(methyl-n-propylsilane) by a Rotational Isomeric State Scheme with Molecular Dynamics Simulations"J.Phys.Chem.B. 107. 11852-11860 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Yuji Sasanuma: "Conformational Peculiarities of Alcohols Incorporated in Lyotropic and Thermotropic Liquid Crystals"Langmuir. 20. 665-672 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Yuji Sasanuma: ""Intramolecular Interactions of Polyethers and Polysulfides, Investigated by NMR, Ab Initio Molecular Orbital Calculations, and Rotational Isomeric State Scheme : An Advanced Analysis of NMR Data", In Annual Reports on NMR Spectroscopy Vol.49 ; Web, G.A., Ed"Academic Press (Elsevier Science) : Oxford, UK. 68 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Yuji Sasanuma: "Conformational Characteristics of Poly(ethylene sulfide) and Poly(ethylene oxide) : Solvent Dependence of Attractive Gauche and Repulsive Gauche Effects"Macromolecules. 35. 3748-3761 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Yuji Sasanuma: "Conformational Analysis of Poly(propylene sulfide)"Macromolecules. 35. 8216-8226 (2003)

    • Related Report
      2002 Annual Research Report
  • [Publications] 笹沼 裕二: "ポリエーテルが形成する弱い水素結合"高分子加工. 51. 218-223 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Yuji Sasanuma: ""Intramolecular Interactions of Polyethers and Polysulfides, Investigated by NMR, Ab Initio Molecular Orbital Calculations, and Rotational Isomeric State Scheme : An Advanced Analysis of NMR Data", in Annual Reports on NMR Spectroscopy (Vol.49)"Academic Press (Elsevier Science). 70 (2003)

    • Related Report
      2002 Annual Research Report

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Published: 2002-04-01   Modified: 2016-04-21  

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