Conformation dependence of electronic structures of poly(ethylene oxide)
Date Published |
04/2005
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Publication Type | Journal Article
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Authors | |
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DOI |
10.1021/jp045685u
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Abstract |
The electronic structure of pure poly(ethylene oxide) (PEO) for four different polymeric chain conformations has been studied by Hartree-Fock (HF) and density functional theory (DFT) through the analysis of their valence band photoelectron spectroscopy (VB-PES), X-ray emission spectroscopy (XES), and resonant inelastic X-ray scattering (RIXS). It is shown that the valence band of PEO presents specific conformation dependence, which can be used as a fingerprint of the polymeric structures. The calculated spectra have been compared with experimental results for PEO powder. |
Journal |
Journal of Physical Chemistry B
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Volume |
109
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Year of Publication |
2005
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Number |
16
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Pagination |
7907-7914
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Keywords | |
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