✦ LIBER ✦
On the Correlation between Photoelectron and Electronic Spectra. Part. II: Experimental indications about the shape of lone pair orbitals
✍ Scribed by E. Haselbach; A. Schmelzer
- Publisher
- John Wiley and Sons
- Year
- 1972
- Tongue
- German
- Weight
- 494 KB
- Volume
- 55
- Category
- Article
- ISSN
- 0018-019X
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
For a π‐molecular system containing two symmetry‐equivalent heteroatoms, a qualitative relationship between the difference in the n‐ionization potentials (Δ__IP__) and the difference between the n → π* excitation energies (ΔΔ__E__) is derived, using semi‐localized orbitals as a basis. The comparison between Δ__IP__ and ΔΔ__E__ yields information about the energies and/or the shapes of the two lone pair MO's in the model system. The results provide further insight into ‘through space’ and ‘through bond’ interaction concept introduced by Hoffmann.