2003 Fiscal Year Final Research Report Summary
Intramolecular and Intermolecular Interactions of Polymers with Heteroatoms
| Project/Area Number |
14550842
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
高分子構造・物性(含繊維)
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| Research Institution | Chiba University |
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Principal Investigator |
SASANUMA Yuji Chiba University, Faculty of Engineering, Department of Applied Chemistry and Biotechnology, Associate Professor, 工学部, 助教授 (30205877)
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| Project Period (FY) |
2002 – 2003
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| Keywords | intramolecular and intermolecular interactions / conformation / polyether / polysulfide / polyimine / polysilane / polymer liquid crystal / lyotropic liquid crystal |
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| 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.
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Research Products
(13 results)
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[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
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