期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 9, 期 22, 页码 6412-6420出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.8b02525
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资金
- Austrian Science Fund (FWF) [D-A -CH i958]
- European Union via ERC Advanced Grant MolArt [247299]
- German Research Foundation (DFG) [KL 2294/3-1, SPP 1601, TRR 142]
- Munich-Centre for Advanced Photonics (MAP)
- Austrian Science Fund [FWF-P28167]
- Helmholtz-Zentrum Berlin (HZB)
The interplay between Mn ions and corrole ligands gives rise to complex scenarios regarding the metal centers' electronic properties expressing a range of high oxidation states and spin configurations. The resulting potential of Mn-corroles for applications such as catalysts or fuel cells has recently been demonstrated. However, despite being crucial for their functionality, the electronic structure of Mn-corroles is often hardly accessible with traditional techniques and thus is still under debate, especially under interfacial conditions. Here, we unravel the electronic ground state of the prototypical Mn-5,10,15-tris(pentafluorophenyl)corrole complex through X-ray spectro-scopic investigations of ultrapure thin films and quantum chemical analysis. The theory based interpretation of Mn photoemission and absorption fine structure spectra (3s and 2p and L-2,L-3-edge, respectively) evidence a Mn(III) oxidation state with an S = 2 high-spin configuration. By referencing density functional theory calculations with the experiments, we lay the basis for extending our approach to the characterization of complex interfaces.
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