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• W2099271023 abstract "The He(Iα) PE and the electronic absorption spectra of hexafluorocyclobutanone (3) and tetrafluoro-1,2-cyclobutanedione (4) have been recorded. The assignment of the observed bands in both types of spectra is mainly based on the correlation with the corresponding spectra of the parent compounds cyclobutanone (1) and 1,2-cyclobutanedione (2), and in addition on the results of semiempirical calculations. As a result of the perfluoro effect, the bands in the PE spectra of 3 and 4 are shifted towards higher ionization energies by 1.6 eV and 1.5 eV relative to the corresponding bands in the PE spectra of 1 and 2. A comparison of the positions of the first band in the electronic spectra of 1 and 3, as well as of 2 and 4, shows that this band is shifted bathochromically by about 5000 cm−1 as a consequence of the perfluoro substitution. This is explained as being due to a stronger lowering of the LUMO (π*) energy than that of the HOMO (n) energy, induced by the replacement of the H-by F-atoms. Die He(Iα)-PE-Spektren und Elektronenabsorptionsspektren von Hexafluorcyclobutanon und Tetrafluor-1,2-cyclobutandion Die He(Iα)-PE-Spektren und die Elektronenabsorptionsspektren von Hexafluorcyclobutanon (3) und Tetrafluor-1,2-cyclobutandion (4) wurden gemessen. Die Zuordnung der ersten Banden beider Spektrentypen basiert hauptsächlich auf der Korrelation mit den entsprechenden Spektren der unsubstituierten Verbindungen Cyclobutanon (1) und 1,2-Cyclobutandion (2) sowie auf den Resultaten semiempirischer Rechnungen. Die Banden in den PE-Spektren von 3 und 4 werden im Vergleich zu den PE-Banden von 1 und 2 durch den Perfluor-Effekt um 1.6 bzw. 1.5 eV zu höheren Energien verschoben. Vergleicht man die Energie der ersten Bande in den Elektronenspektren von 1 und 3 bzw. 2 und 4, so findet man, daß diese Bande bathochrom um etwa 5000 cm−1 durch die Perfluor-Substitution verschoben wird. Dies wird dadurch erklärt, daß beim Ersatz der H-Atome durch F-Atome die Energie des LUMOs (π*) stärker abgesenkt wird als die des HOMOs (n)." @default.
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• W2099271023 date "1985-05-01" @default.
• W2099271023 modified "2023-10-17" @default.
• W2099271023 title "The He(Iα) PE spectra and electronic absorption spectra of hexafluorocyclobutanone and of tetrafluoro‐1,2‐cyclobutane‐dione" @default.
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• W2099271023 doi "https://doi.org/10.1002/cber.19851180532" @default.
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