Chemical speciation by NEXAFS spectromicroscopy: Insights from molecular modeling of polymers
- McMaster Univ., Hamilton, Ontario (Canada). Brockhouse Inst. for Materials Research
- Dow Chemical USA, Freeport, TX (United States). Texas Polymer Centre
- North Carolina State Univ., Raleigh, NC (United States). Dept. of Physics
Near Edge X-ray Absorption Fine Structure (NEXFAS) spectroscopy of polymers performed in a scanning transmission X-ray microscope (STXM) can provide chemical speciation with < 0.1 {micro}m spatial resolution in imaging mode. The core excitation spectra of molecular compounds that are structural analogues of polymers help interpret the NEXAFS spectra of polymers. The effect of {pi}-delocalization on polymer NEXAFS is discussed and illustrated by comparison to molecular spectra. Extended Hueckel calculations are particularly useful for providing insight into the relationship between chemical structure and the molecular and polymer spectra. The authors report the interpretation of experimental NEXAFS spectra of polyethylene terephthalate (PET). Molecular models indicate that NEXAFS will be sensitive to structural isomerization in polyester polymers. They demonstrate the capability of NEXAFS to distinguish hard-segment and soft-segment phase segregation in polyurethanes.
- OSTI ID:
- 474608
- Report Number(s):
- CONF-960401-; ISBN 1-55899-340-1; TRN: IM9723%%501
- Resource Relation:
- Conference: Spring meeting of the Materials Research Society (MRS), San Francisco, CA (United States), 8-12 Apr 1996; Other Information: PBD: 1996; Related Information: Is Part Of Applications of synchrotron radiation techniques to materials science III; Terminello, L.J. [ed.] [Lawrence Livermore National Lab., CA (United States)]; Mini, S.M. [ed.] [Northern Illinois Univ., DeKalb, IL (United States)]; Ade, H. [ed.] [North Carolina State Univ., Raleigh, NC (United States)]; Perry, D.L. [ed.] [Lawrence Berkeley National Lab., CA (United States)]; PB: 265 p.; Materials Research Society symposium proceedings, Volume 437
- Country of Publication:
- United States
- Language:
- English
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