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PE Spectra of Dewar Benzenes, Bridged by a Cyclohexadiene or a Butadiene Unit
Author(s) -
Gleiter Rolf,
Krennrich Gerhard,
Bischof Peter,
Tsuji Takashi,
Nishida Shinya
Publication year - 1986
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.19860690503
Subject(s) - chemistry , benzene , moiety , 1,3 butadiene , unit (ring theory) , stereochemistry , bicyclic molecule , benzene derivatives , spectroscopy , medicinal chemistry , crystallography , organic chemistry , chemical synthesis , catalysis , biochemistry , mathematics education , mathematics , in vitro , physics , quantum mechanics
The electronic structure of [4.2.2]propella‐2,4,7,9‐tetraene ( 1 ), 2,5‐etheno[4.2.2]propella‐3,7,9‐triene ( 2 ), and of several hydrogenated derivatives of 2 has been investigated using He(I) PE spectroscopy and MO calculations. It is found that in 2 the 1,4‐cyclohexadiene moiety interacts considerably with the bicyclo[2.2.0]hexadiene unit, while in 1 the interaction between the butadiene fragment and the Dewar benzene unit is minute. The syntheses of 3–5 are reported.