Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5181038 | Polymer | 2014 | 6 Pages |
â¢Time-dependent FT-IR spectra of SPEEK are taken during dehydration.â¢IR bands are assigned using DFT-calculated normal mode animations.â¢Dissociated -SO3â group modes are termed C3V modes: Associated -SO3H as C1.â¢C3v and C1 modes are observed at all states of hydration.â¢Data supports a morphology with branched hydrophilic and dead-end aqueous regions.
Time-dependent FT-IR spectra of sulfonated poly(ether ether ketone) during dehydration show diminishing 1081Â cmâ1 and 1023Â cmâ1 band intensities concurrent with the emergence and shifting of bands at 1362Â cmâ1 and 898Â cmâ1. Animations of density functional theory calculated normal modes enable assignment of the 1081Â cmâ1 and 1023Â cmâ1 bands as group modes that include a sulfonate exchange site with C3v local symmetry, while the 1362Â cmâ1 and 898Â cmâ1 bands are assigned as group modes that include an associated sulfonic acid with no local symmetry (C1). In contrast to analogously assigned Nafion group mode bands, the SPEEK C3v and C1 bands coexist throughout the entire dehydration-hydration cycle, suggesting the presence of associated and dissociated exchange sites in SPEEK at all states-of-hydration. This supports a morphological model for SPEEK featuring branched hydrophilic domains and dead-end aqueous confines.
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