XPS valence band spectra of 10 polymers (PE, PcI, PPG, PVME, PVA, PVMK, PAA, PMA, PMMA, and PGMA) were measured and simulated with the DMol ab initio molecular orbital program. We performed the calculations with model compounds such as trimers, pentamers, or hexamers of the polymers. The theoretical
Band theory vs. Exciton theory interpretations of x-ray spectra of oligomers and polymers
✍ Scribed by Hans Ågren; Faris Gel'Mukhanov; Christoph Liegener
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 405 KB
- Volume
- 63
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
We interpret x-ray absorption and emission spectra of conjugated molecules from two conceptually different approaches, band theory and exciton theory. We use a few polymers and their associate oligomer sequences as test grounds to characterize and compare x-ray spectra simulated by these two approaches.
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