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Polymer electrolyte poly(ethylene oxide)/LiCF 3 SO 3 studied by solid‐state 13 C NMR spectroscopy and ab initio calculations
Author(s) -
Spěváček Jiří,
Dybal Jiří
Publication year - 1999
Publication title -
macromolecular rapid communications
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.348
H-Index - 154
eISSN - 1521-3927
pISSN - 1022-1336
DOI - 10.1002/(sici)1521-3927(19990801)20:8<435::aid-marc435>3.0.co;2-b
Subject(s) - ethylene oxide , ab initio , polymer , materials science , electrolyte , poly ethylene , polymer chemistry , nuclear magnetic resonance spectroscopy , ethylene , ab initio quantum chemistry methods , oxide , chemistry , chemical engineering , organic chemistry , copolymer , composite material , catalysis , molecule , metallurgy , electrode , engineering
Solid‐state 13 C NMR spectra and ab initio calculations of 13 C NMR chemical shifts show that poly(ethylene oxide) (PEO) carbons in complex with LiCF 3 SO 3 (both in crystalline and amorphous phase) are more shielded in comparison with neat PEO, due to the coordination to the Li + cation. The results obtained from 13 C NMR cross‐polarization dynamics are in agreement with the published X‐ray crystal structure of the PEO/LiCF 3 SO 3 complex. The mobility of PEO in the crystalline complex is lower than in neat crystalline PEO.