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- Title
The Electronic Structure of Azuleno[1,2,3- cd]phenalene and Azuleno[5,6,7- cd]phenalene, a Comparison.
- Authors
Gleiter, Rolf; Spanget-Larsen, Jens; Thulstrup, Erik W.; Murata, Ichiro; Nakasuji, Kazuhiro; Jutz, Christian
- Abstract
The photoelectron (PE.) spectra of azuleno[l, 2, 3- cd]phenalene ( 1) and azuleno- [5,6,7- cd]phenalene( 2) have been recorded. The first five bands of both compounds could be assigned to transitions corresponding to removal of electrons from 4a2, 6b1, 5b1, 3a2 and 4bl orbitals. This assignment is based mainly on a comparison between the observed ionization potentials and orbital energies calculated in a HMO and a PPP model. The UV./VIS. polarized absorption spectrum of 1 in the region 10000-45000 cm−1 has been measured by means of the stretched film technique. The measurements were performed in polyethylene sheets at 77°K. Several bands could be assigned to π* ← π transitions calculated by a PPP-CI method. A comparison between the electronic structures of 1 and 2 is made by means of a simple HMO diagram.
- Publication
Helvetica Chimica Acta, 1976, Vol 59, Issue 5, p1459
- ISSN
0018-019X
- Publication type
Article
- DOI
10.1002/hlca.19760590507