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The Low‐Temperature UV./VIS. Absorption Spectrum of [18]Annulene
Author(s) -
Baumann Harold,
Oth Jean F. M.
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.19820650622
Subject(s) - chemistry , cndo/2 , delocalized electron , annulene , liquid nitrogen , absorption (acoustics) , absorption spectroscopy , symmetry (geometry) , photochemistry , crystallography , computational chemistry , molecular physics , molecule , organic chemistry , optics , physics , geometry , mathematics
The UV./VIS. absorption spectrum of [18]annulene has been remeasured in 3‐rnethylpentane at room and at liquid nitrogen (glass) temperature and interpreted by the CNDO/S‐CI‐method. The confrontation of the experimental electronic transitions with the CNDO/S‐CI‐calculated ones favors a structure with D 6h ‐symmetry, i.e , a structure with delocalized π‐bonds.
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