✦ LIBER ✦
Notiz über die Berechnung des längstwelligen π-π*-Überganges nach dem Verfahren von E. HÜCKEL
✍ Scribed by H. Götz; E. Heilbronner
- Publisher
- John Wiley and Sons
- Year
- 1961
- Tongue
- German
- Weight
- 545 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0018-019X
No coin nor oath required. For personal study only.
✦ Synopsis
The transition energies for the long‐wave absorption bands of aromatic and unsaturated systems, as calculated by the simplest one‐electron approximation, are corrected by a first‐order perturbation procedure for the charge drifts and bond order alterations due to the promotion of an electron from the upper bonding to the lowest anti‐bonding molecular orbital. A significant improvement in the correlation of observed vs. calculated transition energies is obtained. The important factor is the correction for compression energies, rather than the correction for charge drifts.