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The Photoelectron Spectrum of [18]Annulene
Author(s) -
Baumann Harold,
Bünzli JeanClaude,
Oth Jean Françcois Michael
Publication year - 1982
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.19820650217
Subject(s) - annulene , chemistry , ionic bonding , ionization , ionization energy , electronic correlation , symmetry (geometry) , spectrum (functional analysis) , molecule , electron , computational chemistry , ion , atomic physics , quantum mechanics , physics , geometry , mathematics , organic chemistry
The PE. spectrum of [18]annulene has been measured and correlated with MO‐calculations. The experimental ionization energies can only be explained by computing the electronic states of the cation, that is by taking into account the electron correlation and reorganization in the ionic states. The results allow a discussion of the structure of the neutral molecule; they are consistent with a D 6h point group of symmetry.