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Band theory vs. Exciton theory interpretations of x‐ray spectra of oligomers and polymers
Author(s) -
Ågren Hans,
Gel'Mukhanov Faris,
Liegener Christoph
Publication year - 1997
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1997)63:2<313::aid-qua4>3.0.co;2-z
Subject(s) - exciton , oligomer , spectral line , conjugated system , polymer , absorption spectroscopy , molecule , absorption (acoustics) , materials science , chemical physics , molecular physics , physics , chemistry , condensed matter physics , quantum mechanics , polymer chemistry , optics , nuclear magnetic resonance
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. © 1997 John Wiley & Sons, Inc.