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

Delcey, Mickaël G. LU ; Lindblad, Rebecka LU ; Timm, Martin ; Bülow, Christine ; Zamudio-Bayer, Vicente ; Von Issendorff, Bernd ; Lau, J. Tobias and Lundberg, Marcus (2022) In Physical Chemistry Chemical Physics 24(6). p.3598-3610
Abstract

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 [MnOn]+ 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 [MnO2]+ 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.

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author
; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Chemistry Chemical Physics
volume
24
issue
6
pages
13 pages
publisher
Royal Society of Chemistry
external identifiers
  • scopus:85124445401
  • pmid:35103264
ISSN
1463-9076
DOI
10.1039/d1cp03667j
language
English
LU publication?
yes
id
2546260c-10cd-4f68-a077-ef719e68ea74
date added to LUP
2022-12-29 11:31:32
date last changed
2024-12-13 18:49:33
@article{2546260c-10cd-4f68-a077-ef719e68ea74,
  abstract     = {{<p>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 [MnOn]+ 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 [MnO2]+ 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.</p>}},
  author       = {{Delcey, Mickaël G. and Lindblad, Rebecka and Timm, Martin and Bülow, Christine and Zamudio-Bayer, Vicente and Von Issendorff, Bernd and Lau, J. Tobias and Lundberg, Marcus}},
  issn         = {{1463-9076}},
  language     = {{eng}},
  month        = {{02}},
  number       = {{6}},
  pages        = {{3598--3610}},
  publisher    = {{Royal Society of Chemistry}},
  series       = {{Physical Chemistry Chemical Physics}},
  title        = {{Soft X-ray signatures of cationic manganese-oxo systems, including a high-spin manganese(v) complex}},
  url          = {{http://dx.doi.org/10.1039/d1cp03667j}},
  doi          = {{10.1039/d1cp03667j}},
  volume       = {{24}},
  year         = {{2022}},
}