Soft X-ray signatures of cationic manganese-oxo systems, including a high-spin manganese(V) complex

• Published in: Physical chemistry chemical physics : PCCP Vol. 24; no. 6; p. 3598
• Main Authors: Delcey, Mickaël G, Lindblad, Rebecka, Timm, Martin, Bülow, Christine, Zamudio-Bayer, Vicente, von Issendorff, Bernd, Lau, J Tobias, Lundberg, Marcus
• Format: Journal Article
• Language: English
• Published: England 09-02-2022
• Subjects: Cations; Manganese; Manganese Compounds; Oxides; X-Rays
• ISSN: 1463-9084
• DOI: 10.1039/d1cp03667j

Manganese-oxo species catalyze key reactions, including C-H bond activation or dioxygen formation in natural photosynthesis. To better understand relevant reaction intermediates, we characterize electronic states and geometric structures of [MnO
]
manganese-oxo complexes that represent a wide range of manganese oxidation states. To this end, we apply soft X-ray spectroscopy in a cryogenic ion trap, combined with multiconfigurational wavefunction calculations. We identify [MnO
]
as a rare high-spin manganese(V) oxo complex with key similarities to six-coordinated manganese(V) oxo systems that are proposed as reaction intermediates in catalytic dioxygen bond formation.