Electronic structure of some copper(II) and iron(III) β-diketonates
| Autor: | Oleg L. Shcheka, Vitalii I. Vovna |
|---|---|
| Rok vydání: | 1992 |
| Předmět: |
Radiation
Stereochemistry Photoemission spectroscopy Chemistry Electronic structure Condensed Matter Physics Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials CNDO/2 Chemical bond Ionization Physical chemistry Molecular orbital Emission spectrum Physical and Theoretical Chemistry Spectroscopy Ultraviolet photoelectron spectroscopy |
| Zdroj: | Journal of Electron Spectroscopy and Related Phenomena. 60:211-223 |
| ISSN: | 0368-2048 |
| DOI: | 10.1016/0368-2048(92)80043-8 |
| Popis: | The electronic structure of the CuL 2 (L = acac, dpm) and FeL 3 (L = acac, tfa, dpm, dbm) complexes was investigated by using ultraviolet photoelectron spectroscopy and X-ray emission spectroscopy of the vapours. The experimental data (ionization potentials, atomic populations of valent occupied molecular orbitals, and transition energies between valent and core orbitals) were compared with the results of theoretical calculations (CNDO/2 method). The sufficiently good agreement between the theoretical and experimental data allowed the accurate determination of the important regularities in the electronic structure of the chelate cycles of different complexes and the character of the ML chemical bond. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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