The electronic spectra and structure of n-arylsa licylamides
โ Scribed by A. F. Bekhli; L. I. Kosheleva; I. V. Persianova
- Publisher
- Springer US
- Year
- 1974
- Tongue
- English
- Weight
- 62 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0021-9037
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract The allโvalenceโelectron CNDO/2 calculations were performed for the three isomeric nitrophenols. Using the newly derived ฯโcore charges and subsequently revising the valenceโstate ionization potentials and oneโcenter twoโelectron repulsion integrals, PariserโParrโPople (PPP) CI calculat
The planar cis conformer is calculated as lowest in energy but the trans is sufficiently close that both species may be present at room temperature. The difference in the peak absorption energy for the strong 1 'A'+2 'A' transition is calculated to be sufflciently large between the conformers to dis