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Die konjugative Wechselwirkung zwischen π‐ und Walsh ‐Orbitalen: Das Photoelektron‐Spektrum des Homofulvens
Author(s) -
Gleiter R.,
Heilbronner E.,
de Meijere A.
Publication year - 1971
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19710540409
Subject(s) - chemistry , atomic orbital , fulvene , atomic physics , crystallography , stereochemistry , physics , electron , quantum mechanics
Analysis of the photoelectron spectrum of homofulvene ( 1 ) (spiro [2.4] hepta‐4,6‐diene) confirms the conclusions previously drawn concerning the direct conjugation between π‐and Walsh ‐orbitals. It is shown that the resonance integral (4) appropriate for the semi‐quantitative interaction of these orbitals amounts to −1.9 eV, i.e. nearly the value for conjugating π‐orbitals (β = −2.4 to −2.5 eV). This explains the close analogy between the photoelectron spectrum of 1 and that of fulvene.