Anion states of η4‐polyene iron tricarbonyl complexes
| Autor: | James K. Olthoff, John H. Moore, J. C. Giordan, John A. Tossell, E. J. Baerends |
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| Rok vydání: | 1987 |
| Předmět: | |
| Zdroj: | The Journal of Chemical Physics. 87:7001-7006 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.453397 |
| Popis: | Attachment energies of low energy electrons to Fe(CO)5 and to η4 complexes of 1,3‐butadiene, 1,3‐cyclohexadiene, cyclooctatetraene, and cyclobutadiene with Fe(CO3) have been determined by electron transmission spectroscopy. The spectrum of Fe(CO)5 is similar to that of Cr(CO)6, showing an anion resonance near threshold assigned to predominantly Fe3d orbitals and two resonances between 1 and 3 eV assigned to predominantly COπ* orbitals.The diene complexes show threshold features similar to Fe(CO)5, COπ* resonances around 2 eV, and one or more diene π* resonances. The resonances from the lowest π* orbitals of butadiene, cyclohexadiene, and cyclooctatetraene are little different in the free dienes and the complexes, but higher π* orbitals are substantially destabilized in the complexes, consistent with qualitative symmetry arguments. In the cyclobutadiene complex the π*3 orbital of cyclobutadiene is strongly destabilized by interaction with the Fe3d, giving a resonant feature at 1.2 eV. Dissociative attachme... |
| Databáze: | OpenAIRE |
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