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The Photoelectron Spectrum of Tetrafluorobutatriene

✍ Scribed by Harold Basch; Gerhard Bieri; Edgar Heilbronner; Taylor B. Jones

Publisher: John Wiley and Sons
Year: 1978
Tongue: German
Weight: 735 KB
Volume: 61
Category: Article
ISSN: 0018-019X
DOI: 10.1002/hlca.19780610105

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The He(I~α~) and He(II~α~) spectra of tetrafluorobutatriene 3(F) have been recorded for comparison with those of butatriene 3(H). Ab initio double‐zeta basis self‐consistent field (SCF) and configuration interaction calculations on butatriene show that, contrary to previous assignment, no shake‐up band is expected to appear in the 9–10 eV energy range of the photoelectron spectrum. Further, such SCF calculations on tetrafluorobutatriene support the use of the perfluoro effect in assigning the purely π orbital ionizations. It is argued that 3(F) is a key compound for the study of the perfluoro effect. This is supported by a qualitative comparison of its photoelectron‐spectroscopic results with those of other perfluoro systems.

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