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Schoell A, Zou Y, Huebner D, et al. A comparison of fine structures in high-resolution x-ray-absorption spectra of various condensed organic molecules. J Chem Phys. 2005;123(4):044509doi: 10.1063/1.1978872.
Schoell, A., Zou, Y., Huebner, D., Urquhart, S. G., Schmidt, T., Fink, R., & Umbach, E. (2005). A comparison of fine structures in high-resolution x-ray-absorption spectra of various condensed organic molecules. The Journal of chemical physics, 123(4), 044509. https://doi.org/10.1063/1.1978872
Schoell, A, et al. "A comparison of fine structures in high-resolution x-ray-absorption spectra of various condensed organic molecules." The Journal of chemical physics vol. 123,4 (2005): 044509. doi: https://doi.org/10.1063/1.1978872
Schoell A, Zou Y, Huebner D, Urquhart SG, Schmidt T, Fink R, Umbach E. A comparison of fine structures in high-resolution x-ray-absorption spectra of various condensed organic molecules. J Chem Phys. 2005 Jul 22;123(4):044509. doi: 10.1063/1.1978872. PMID: 16095371.
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J Chem Phys. 2005 Jul 22;123(4):044509. doi: 10.1063/1.1978872.

A comparison of fine structures in high-resolution x-ray-absorption spectra of various condensed organic molecules.

The Journal of chemical physics

A Schoell, Y Zou, D Huebner, S G Urquhart, Th Schmidt, R Fink, E Umbach

Affiliations

  1. Experimentelle Physik II, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany. [email protected]

PMID: 16095371 DOI: 10.1063/1.1978872

Abstract

We report on a high-resolution C-K and O-K near-edge x-ray-absorption fine-structure (NEXAFS) study of large aromatic molecules in condensed thin films, namely, anhydrides 1,4,5,8-naphthalene-tetracarboxylic acid dianhydride, 3,4,9,10-perylene-tetracarboxylic acid dianhydride, benzoperylene-(1,2)-dicarboxylic acid anhydride, and 1,8-naphthalene-dicarboxylic acid anhydride and the quinoic acenaphthenequinone. Due to the high-energy resolution of the third-generation synchrotron source BESSY II we observe large differences in the NEXAFS fine structures even for very similar molecules, resulting in a wealth of new information. The rich fine structure can unambiguously be assigned to the coupling of electronic transitions to vibronic excitations. Backed by ab initio calculations we present a detailed analysis of the spectra that allows the complete interpretation of the near-edge features. It also yields information on the vibronic properties in the electronically excited state as well as on the response of the electronic system upon core excitation. The strong differences in the electron-vibron coupling for different molecules are discussed.

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