Abstract
X-ray absorption near-edge structure (XANES) in the CK region of 1,4,7,10-alkyltetracenes, which are composed of sp2-C atoms in the tetracene ring and sp3-C atoms in the alkyl-chains, are measured using the total electron yield (TEY) and theoretically analyzed by DFT calculations to quantitatively investigate the π* and σ* peak intensities in the TEY-CK-XANES. The calculated π*/σ* peak intensity ratios are well approximated by the linear functions passing through the origin as a function of the sp2-C fraction, which is expressed as sp2-C/(sp2-C + sp3-C). In contrast, the measured π*/σ* peak intensity ratios are well approximated by curve functions passing through the origin, considering the TEY efficiency between sp2-C and sp3-C. The approximated curve functions indicate that the TEY efficiency of sp3-C is lower than that of sp2-C even in molecules. This confirms that the TEY efficiency of sp2-C and sp3-C should be considered in quantitative discussions on the sp2-C and sp3-C fractions from TEY-CK-XANES of carbon materials.
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