## Abstract 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 s
The Photoelectron Spectrum of [18]Annulene
✍ Scribed by Harold Baumann; Jean-Claude Bünzli; Jean Françcois Michael Oth
- Publisher
- John Wiley and Sons
- Year
- 1982
- Tongue
- German
- Weight
- 251 KB
- Volume
- 65
- Category
- Article
- ISSN
- 0018-019X
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✦ Synopsis
Abstract
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.
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## Abstract The helium (I) photoelectron spectrum of C(CN)~4~ curiously displays ionizations only in two small windows from 13.8 eV to 14.5 eV and from 14.8 eV to 15.5 eV, respectively. A tentative assignment of the numerous overlapping bands – based on a spectroscopically parametrized LCBO MO mode
The hatched bands of "sulfine" can be deduced by comparison of the spectra (b) and (c). Their assignment follows from an ab initio SCF calculation ['1 and by comparison with SSO and OSO[51; it is supported by the resolved vibrational fine structures in the first three bands and by the change in the