New Methodological Development for the complete Structural Analysis of Solid Fluoropolymers and Elucidation of the Structure-Properties Relation

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In polymer science and technology, the advanced development of various polymer materials which ideal properties and functions is desired. The substitution of fluorine atoms into polymers leads to developments for new polymers with excellent properties and functions. To achieve this, the close relationship between physical properties and molecular structure and dynamics must be clarified precisely. Therefore, powerful techniques are required for the elucidation of this relationship. One of these is solid state NMR.From such a background, we have studied some new methodologies for analyzing exact molecular structure and dynamics of the polymers by new techniques of NMR measurements and sophisticated NMR chemical shift calculation on the basic quantum chemical method. Ando, Kurosu and Webb have developed new theoretical methods for calculating NMR chemical shift of polymer crystal with three-dimensional and structural periodicity with the ab initio MO(molecular orbital) framework, and also of model molecules with the high-level ab initio MO framework. These have been successfully applied to various kinds of polymers. On the other hand, Harris and Ando have developed new NMR techniques for elucidating structure and dynamics of fluoropolymers and other polymers in the solid state. By using these techniques we have successfully elucidated the structure and dynamics of the polymers in the solid state. From these results, the international joint research work leads to fruitful results for polymer science and technology.