The photoelectron spectra of perfluoro-2-butyne and perfluorohexa-2,4-diyne. The perfluorination effect |
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| Authors: | JP Delwiche M-Th Praet G Caprace M-J Hubin-Franskin P Natalis JE Collin |
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| Institution: | Laboratoire des Etats Ionisés, Département de Chimie générale et de Chimie-Physique, Université de Liège, Sart Tilman (B6), B-4000 par Liège 1 Belgium |
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| Abstract: | The He(I) photoelectron spectra of perfluoro-2-butyne and perfluorohexa-2,4-diyne are reported and discussed in comparison with the photoelectron spectra of 2-butyne and hexa-2,4-diyne. Large π shifts (ca. 2 eV) towards higher ionization energies are observed as a consequence of complete substitution of hydrogen by fluorine. EXTHUC and CNDO/S calculations are found to be in good agreement with the experimental data. A new vibrational analysis of the first band of the perfluoro-2-butyne is proposed. |
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