Electronic structure of 2,5,8-tri-tert-butylphenalenyl radical studied by He(I) photoelectron spectroscopy
| Autor: | Kazuhiro Nakasuji, Mari Kubota, Takashi Kubo, Tsunetoshi Kobayashi |
|---|---|
| Rok vydání: | 2008 |
| Předmět: |
chemistry.chemical_classification
Radiation Chemistry Photoemission spectroscopy Ionic bonding Electronic structure Condensed Matter Physics Photochemistry Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials Hydrocarbon X-ray photoelectron spectroscopy Group (periodic table) Ionization Singlet state Physics::Chemical Physics Physical and Theoretical Chemistry Spectroscopy |
| Zdroj: | Journal of Electron Spectroscopy and Related Phenomena. 165:11-14 |
| ISSN: | 0368-2048 |
| DOI: | 10.1016/j.elspec.2008.07.003 |
| Popis: | Phenalenyl radical is an odd-alternant hydrocarbon radical of high symmetry, D3h and is extremely attractive as the constituent of molecular magnets. But it has not been characterized in detail. Recently, 2,5,8-tri-tert-butylphenalenyl radical has successfully been synthesized. In this work the gas phase He(I) photoelectron spectrum of this radical has been measured and analyzed with the aid of UHF MO and RHF MO SECI calculations. The first band has been assigned to the ionization from the SO–π–MO of the neutral radical. The second band group has been ascribed to the ionized states relevant to three triplet ionic states and one singlet ionic state of the monocation, the third band group being ascribed to the two singlet ionic states of the monocation. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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