Photo-induced ligand substitution of Cr(CO)(6) in 1-pentanol probed by time resolved X-ray absorption spectroscopy
- Cr(CO)(6) was investigated by X-ray absorption spectroscopy. The spectral signature at the metal edge provides information about the back-bonding of the metal in this class of complexes. Among the processes it participates in is ligand substitution in which a carbonyl ligand is ejected through excitation to a metal to ligand charge transfer (MLCT) band. The unsaturated carbonyl Cr(CO)(5) is stabilized by solution media in square pyramidal geometry and further reacts with the solvent. Multi-site-specific probing after photoexcitation was used to investigate the ligand substitution photoreaction process which is a common first step in catalytic processes involving metal carbonyls. The data were analysed with the aid of TD-DFT computations for different models of photoproducts and signatures for ligand rearrangement after substitution were found. The rearrangement was found to occur in about 790 ps in agreement with former studies of the photoreaction.
Author details: | Eric Johnn MascarenhasORCiD, Mattis FondellORCiD, Robby BüchnerORCiDGND, Sebastian EckertORCiDGND, Vinícius Vaz da CruzORCiD, Alexander FöhlischORCiDGND |
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DOI: | https://doi.org/10.1039/d1cp05834g |
ISSN: | 1463-9076 |
ISSN: | 1463-9084 |
Pubmed ID: | https://pubmed.ncbi.nlm.nih.gov/35737440 |
Title of parent work (English): | Physical chemistry, chemical physics : a journal of European Chemical Societies |
Publisher: | Royal Society of Chemistry |
Place of publishing: | Cambridge |
Publication type: | Article |
Language: | English |
Date of first publication: | 2022/06/07 |
Publication year: | 2022 |
Release date: | 2023/12/14 |
Volume: | 24 |
Issue: | 30 |
Number of pages: | 8 |
First page: | 17979 |
Last Page: | 17985 |
Funding institution: | ERC-ADG-2014 under Horizon 2020 EU Framework Program for Research and; Innovation [669531 EDAX] |
Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie |
DDC classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
Peer review: | Referiert |
Publishing method: | Open Access / Hybrid Open-Access |
License (English): | Creative Commons - Namensnennung 3.0 Unported |