O. Plashkevych, H. Ågren, Vincenzo Carravetta
Sep 1, 2000
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0
Influential Citations
9
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Journal
Chemical Physics Letters
Abstract
We use 2-mercaptobenzoxazole to study the notion of vibronic fine structure fingerprints in near-edge X-ray absorption fine structure (NEXAFS). It is shown that connected and non-connected carbons in the phenyl ring of the 2-mercaptobenzoxazole molecule give mutually similar excitation patterns and patterns similar to the one in free benzenewas while the 5-ring carbon is distinctly different in this respect. The simulated vibronic bands give an unambiguous assignment of the full NEXAFS spectrum at the carbon K-edge.