Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 4, Issue 11, Pages 1972-1976Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jz401016h
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Funding
- Swedish Research Council (SEC, VS)
- Crafoord Foundation (SEC, KSA)
- Science Faculty at Lund University (MAX IV)
- ESS initiative
- European Research Council [ERC-AdvG-VISCHEM-226136, ERC-StG-259709]
- Centre for Molecular Movies through the Danish National Research Foundation
- DANSCATT
- Bolyai Janos Fellowship of the Hungarian Academy of Sciences
- U.S. DOE [DE-AC02-06CH11357]
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Building a detailed understanding of the structure function relationship is a crucial step in the optimization of molecular photocatalysts employed in water splitting schemes. The optically dark nature of their active sites usually prevents a complete mapping of the photoinduced dynamics. In this work, transient X-ray absorption spectroscopy highlights the electronic and geometric changes that affect such a center in a bimetallic model complex. Upon selective excitation of the ruthenium chromophore, the cobalt moiety is reduced through intramolecular electron transfer and undergoes a spin flip accompanied by an average bond elongation of 0.20 +/- 0.03 angstrom. The analysis is supported by simulations based on density functional theory structures (B3LYP*/TZVP) and FEFF 9.0 multiple scattering calculations. More generally, these results exemplify the large potential of the technique for tracking elusive intermediates that impart unique functionalities in photochemical devices.
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