Structure and Molecular Motion of Poly(ethylene oxide) in the Solid State as Studied by Quantum Chemistry and Solid State NMR

Abstract

High-resolution 13 C NMR spectra of poly(ethylene oxide) in the solid state were measured between −105.5°C and room temperature. These results have shown that the 13 C NMR chemical shift of poly(ethylene oxide) displaces downfield as the temperature is decreased from room temperature to −105.5°C. Further, the theoretical calculations are performed in order to elucidate the origin of the downfield shift of poly(ethylene oxide) and make clear the relationship between molecular motion and NMR chemical shift in the solid state.