Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 122, Issue 32, Pages 6524-6531Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpca.8b01762
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Funding
- Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [DE-FG02-04ER15571]
- DOE
- National Science Foundation [CHE-1361516]
- Office of Science of the U.S. Department of Energy
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The photoinduced spin crossover dynamics of transition metal complexes is of fundamental scientific importance and is used for sensor device applications and solar energy harvesting. Current X-ray and optical spectroscopy experiments for [Fe-II(bpy)(3)], an archetypal earth-abundant metal complex, show conflicting spin dynamics. We have simulated the broad band transient X-ray absorption and hybrid (broad + narrow band) X-ray stimulated Raman signals at the N and Fe K-edges of the key excited state intermediates involved in the spin crossover process of this complex. We find that these signals are much more sensitive to electron and spin populations than transition absorption and may be useful in the design of photovoltaic and artificial photosynthetic systems.
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