NMR studies and conformational energy calculations of 1,2-dimethoxyethane and poly(oxyethylene).
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- Tasaki Kenzabu
- Department of Polymer Chemistry, Faculty of Engineering, Tokyo Institute of Technology
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- Abe Akihiro
- Department of Polymer Chemistry, Faculty of Engineering, Tokyo Institute of Technology
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説明
Conformational studies on 1,2-dimethoxyethane (DME), a monomer model compound of poly(oxyethylene), have been carried out by using NMR technique. The observed temperature dependence of the vicinal coupling constants was analyzed on the basis of the rotational isomeric state scheme. For the C–C bond, the 13CH satellite side bands provide the desired information. Conformational energy Eσ, representing the energy of the gauche state expressed relative to the trans, was found to vary in a range −0.5 to −1.2 kcal mol−1, depending on the solvent system. Values of JT and JG for the vicinal 1H–1H coupling were determined concomitantly: JT=11.4±0.3 and JG=2.3±0.1 Hz. For the rotation about the C–O bond, the vicinal 13C–1H coupling constant associated with the terminal methyl group was studied. Adoption of JG=1.3 Hz leads to an estimate of Eρ=0.8 to 1.1 kcal mol−1 for the energy difference between the gauche and trans states. In these treatments, the neighbor-dependent character of the bond rotation along the chain was rigorously taken into account. The values of Eσ and Eρ derived for the polymer are comparable with those of DME. The results are compared with those reported previously by Viti et al. and Mastuzaki et al.
収録刊行物
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- Polymer Journal
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Polymer Journal 17 (4), 641-655, 1985
The Society of Polymer Science, Japan
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詳細情報 詳細情報について
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- CRID
- 1390282681266577280
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- NII論文ID
- 130004428662
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- COI
- 1:CAS:528:DyaL2MXit1Wgurc%3D
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- ISSN
- 13490540
- 00323896
- http://id.crossref.org/issn/00323896
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- 本文言語コード
- en
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