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Theoretical And Experimental Infrared Spectra Of Hydrated And Dehydrated Sulfonated Poly(Ether Ether Ketone), Jonathan Doan, Erin Kingston, Ian Kendrick, Kierstyn Anderson, N. Dimakis, Philippe Knauth, Maria Luisa Di Vona, Eugene S. Smotkina

Physics and Astronomy Faculty Publications and Presentations

Time-dependent FT-IR spectra of sulfonated poly(ether ether ketone) during dehydration show diminishing 1081 cm−1 and 1023 cm−1 band intensities concurrent with the emergence and shifting of bands at 1362 cm−1 and 898 cm−1. Animations of density functional theory calculated normal modes enable assignment of the 1081 cm−1 and 1023 cm−1 bands as group modes that include a sulfonate exchange site with C3v local symmetry, while the 1362 cm−1 and 898 cm−1 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 …