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Title of article :
High resolution NEXAFS spectroscopy study of gas-phase phenylacetylene: experiment and theory
Author/Authors :
Carravetta، نويسنده , , V. and Polzonetti، نويسنده , , G. and Iucci، نويسنده , , G. and Russo، نويسنده , , M.V. and Paolucci، نويسنده , , G. and Barnaba، نويسنده , , M.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1998
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Abstract :
Gas phase near-edge X-ray absorption fine structure spectra of phenylacetylene (PA, C6H5–CCH) have been recorded at the carbon K-edge. The experimental data have been interpreted with the help of ab initio calculations: both the ionisation potentials for the C1s electrons and the theoretical C K-edge absorption spectra have been calculated for all the six inequivalent carbon atoms of PA. A good agreement is observed between experimental and theoretical data, allowing a detailed attribution of the various features in the measured spectrum.
Journal title :
Chemical Physics Letters
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Link To Document :