Title of article :
Vibronic structure fingerprints in NEXAFS: a theoretical study of 2-mercaptobenzoxazole
Author/Authors :
Plashkevych، نويسنده , , O. and إgren، نويسنده , , H. and Carravetta، نويسنده , , V. and Contini، نويسنده , , G. and Polzonetti، نويسنده , , G.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2000
Pages :
6
From page :
7
To page :
12
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.
Journal title :
Chemical Physics Letters
Serial Year :
2000
Journal title :
Chemical Physics Letters
Record number :
1772954
Link To Document :
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