Dioxygen Difluoride: Infrared Spectrum, Vibrational Potential Function, and Bonding
| Autor: | K. R. Loos, V. A. Campanile, C. T. Goetschel |
|---|---|
| Rok vydání: | 1970 |
| Předmět: |
chemistry.chemical_classification
Double bond Chemistry Infrared General Physics and Astronomy Molecular orbital diagram Photochemistry Delocalized electron chemistry.chemical_compound Atomic orbital Chemical physics Dioxygen difluoride Molecular orbital Physical and Theoretical Chemistry Electronic density |
| Zdroj: | The Journal of Chemical Physics. 52:4418-4423 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.1673667 |
| Popis: | The infrared spectrum of solid O2F2, produced by radiolysis of a mixture of liquid O2 and F2, has been obtained at 77°K. With the help of isotopic labeling, all fundamental vibrations have been located and a normal coordinate calculation carried out to aid in their assignment. These results, together with extended Huckel molecular orbital calculations, show that the O–O bond in O2F2 has considerable double bond character, resembling O2 more than it does H2O2, and having a significant barrier to internal rotation. Evidence indicating the existence of considerable delocalization of electronic density has been noted; the bonding, although similar to the O2F radical in some respects, is more complex with considerably more participation of the fluorine p electrons in the bonding orbitals. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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