| Autor: |
Carroll, Thomas X., Zahl, Maria G., Bo\rve, Knut J., Sæthre, Leif J., Decleva, Piero, Ponzi, Aurora, Kas, Joshua J., Vila, Fernando D., Rehr, John J., Thomas, T. Darrah |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; Jun2013, Vol. 138 Issue 23, p234310, 5p, 4 Graphs |
| Abstrakt: |
Carbon 1s photoelectron spectra for 2-butyne (CH3C≡CCH3) measured in the photon energy range from threshold to 150 eV above threshold show oscillations in the intensity ratio C2,3/C1,4. Similar oscillations have been seen in chloroethanes, where the effect has been attributed to EXAFS-type scattering from the substituent chlorine atoms. In 2-butyne, however, there is no high-Z atom to provide a scattering center and, hence, oscillations of the magnitude observed are surprising. The results have been analyzed in terms of two different theoretical models: a density-functional model with B-spline atom-centered functions to represent the continuum electrons and a multiple-scattering model using muffin-tin potentials to represent the scattering centers. Both methods give a reasonable description of the energy dependence of the intensity ratios. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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