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The Low‐Temperature UV/VIS Absorption Spectrum of [14]Annulene
Author(s) -
Baumann Harold,
Oth Jean F. M.
Publication year - 1995
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.19950780315
Subject(s) - chemistry , annulene , cndo/2 , delocalized electron , absorption spectroscopy , absorption (acoustics) , molecule , photochemistry , computational chemistry , organic chemistry , optics , physics
The UV/VIS absorption spectrum of [14]annulene was measured in 3‐methylpentane at room and liquid‐N 2 temperatures and interpreted by the CNDO/S‐CI method. This comparison between experiment and theory supports a structure with π‐bond delocalization for this molecule.