The Electronic Structure of Pentaprismane (C10H10), as Revealed by its Photoelectron Spectrum
✍ Scribed by Evi Honegger; Philip E. Eaton; B. K. Ravi Shankar; Edgar Heilbronner
- Publisher
- John Wiley and Sons
- Year
- 1982
- Tongue
- German
- Weight
- 373 KB
- Volume
- 65
- Category
- Article
- ISSN
- 0018-019X
No coin nor oath required. For personal study only.
✦ Synopsis
The photoelectron (PE.) spectrum of the title compound has been assigned by comparison with the PE. spectrum of cubane (2), aided by ab initio STO-3G calculations using localized molecular orbitals. On the basis of the information available to date, the most satisfactory orbital sequence, Koopmans theorem implied, is, in descending order of energy: band system 0: (2e5, 3ei, 2e', ', 3e;); band system 0 0 : 3 a', (2 e;, 2 a 9 ; band @ : 2e;. (Sequence of orbitals in parenthesis uncertain.) Some time ago we discussed the electronic structures of cubane (2) [ l ] and of the tetra(t-butyl) derivative of tetrahedrane (4) [2] on the basis of their He(1a) photoelectron (PE.) spectra.