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Tetrakis (methylidene)cyclobutane (‘[4]Radialene’): Electronic states of the molecular ion

✍ Scribed by Thomas Bally; Urs Buser; Edwin Haselbach

Publisher: John Wiley and Sons
Year: 1978
Tongue: German
Weight: 435 KB
Volume: 61
Category: Article
ISSN: 0018-019X
DOI: 10.1002/hlca.19780610104

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✦ Synopsis

Abstract

The photoelectron spectrum of tetrakis (methylidene)cyclobutane (1, ‘[4]radialene’) is reported. The electronic states of 1^+^ are assigned on the basis of model calculations and with reference to related systems. Jahn‐Teller activity in the degenerate states is discussed. A failure of the simple LCBO‐model for the π(e~g~)‐orbital of 1 is noted and traced to the fact that this orbital, though having a symmetry‐equivalent π*‐counterpart, does not interact with it. This feature is confined to [4n]radialenes; their total π‐energies are therefore higher than those of the other members. It is shown that radialenes, in principle, do not constitute a class analogous to that of the linear polyenes as inferred earlier.

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