Electronic structure and tautomerism of aryl ketones
| Autor: | Boris Sket, Igor Novak, Sean P. McGlynn, Leo Klasinc |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
Radiation
Aryl Electronic structure Condensed Matter Physics Photochemistry Tautomer Atomic and Molecular Physics and Optics Spectral line Electronic Optical and Magnetic Materials chemistry.chemical_compound X-ray photoelectron spectroscopy chemistry Computational chemistry Ab initio quantum chemistry methods Physical and Theoretical Chemistry Spectroscopy |
| Zdroj: | Journal of Electron Spectroscopy and Related Phenomena. 202:69-73 |
| ISSN: | 0368-2048 |
| DOI: | 10.1016/j.elspec.2015.03.007 |
| Popis: | The electronic structures of several aryl ketones (AK) and their α-halo derivatives have been studied by UV photoelectron spectroscopy (UPS). The relative stabilities of keto–enol tautomers have been determined using high-level ab initio calculations and the results were used in the analysis of UPS spectra. The main features of electronic structure and tautomerism of the AK derivatives are discussed. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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