Electronic structure of transition metal β-diketonates with an open d-shell

Komissarov, A. A.; Shcheka, O. L.; Dotsenko, A. A.; Yashin, V. A.; Vovna, V. I.

doi:10.1016/j.comptc.2017.09.004

Cited by 4 publications

(2 citation statements)

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“…45 These structures are the contributions of the excitation of electrons in the metal antibonding d xz and d yz orbitals and n − MO of the ligand. 46 The structures observed in Figure 4b agree with the 4 eV rule for the extra electron trapped in a Rydberg state. 34 As the observed structures are broad, we cannot exclude the highenergy lying shape resonances with the capture of the excess electron into the LUMO + 9 (VAE = 4.641 eV) shown in Figure 2.…”

Section: Resultssupporting

confidence: 73%

“…Indeed, the UV photoelectron spectrum of gas-phase Co(II)(acac) 2 exhibits broad structures located at 7–8 eV and at around 9 eV . These structures are the contributions of the excitation of electrons in the metal antibonding d xz and d yz orbitals and n – MO of the ligand . The structures observed in Figure b agree with the 4 eV rule for the extra electron trapped in a Rydberg state .…”

Section: Resultssupporting

confidence: 68%

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Fragmentation of Nickel(II) and Cobalt(II) Bis(acetylacetonate) Complexes Induced by Slow (<10 eV) Electrons

2021

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Metal acetylacetonate complexes have high potentiality in nanoscale fabrication processes (e.g., focus electron beam-induced deposition) thanks to the versatile character and ease of preparation compounds. In this work, we study and compare the physics and the physicochemistry induced by the interaction of low-energy (<10 eV) electrons with nickel(II) and cobalt(II) bis(acetylacetonate) complexes. The slow particles decompose the molecules via dissociative electron attachment. The nickel(II) and cobalt(II) bis(acetylacetonate) anions and the acetylacetonate negative fragments are the most dominant detected species. The experimental data are completed with density functional theory calculations to provide information on the electronic states of the molecules and the energetics for fragmentation. Finally, it is found that the interaction of low-energy electrons resulting in the decomposition of organometallic complexes in the gas phase is more efficient with the nickel(II) than with the cobalt(II) bis(acetylacetonate) complex. These results are found to be in a relative agreement with the surface experiments.

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Section: Resultssupporting

confidence: 73%

Section: Resultssupporting

confidence: 68%