The use of Koopmans' Theorem in the interpretation of photoelectron spectra
โ Scribed by W.G. Richards
- Publisher
- Elsevier Science
- Year
- 1969
- Weight
- 439 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0020-7381
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
For 26 molecules the experimentally determined negative electron affinities resulting from electron transmission spectroscopy are compared to the theoretically determined eigenvalues of the lowest unoccupied molecular orbitals ( eLUMo) of the neutral compounds, and to the eigenvalues of the highest
The nitrogen molecule is one of the simplest and best known examples wilere Koopmans'theorem not only fails in predicting accurate values for tbs. vertical ionization potentials but even yields tl,,! wrong sequence of the two lowest ionizations. In this paper a perturbation treatment we had presente
The n-ionization energies['] of alkyl-substituted triketones, as determined by photoelectron spectroscopy, can also be discussed on the basis of the calculated geometry of dimethyltriketone.