Journal
CHEMICAL COMMUNICATIONS
Volume 46, Issue 43, Pages 8225-8227Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c0cc02661a
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Funding
- European COST Action [D35]
- Egide/DAAD Procope [20139VE]
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The mechanism of photoisomerization of a Re(I) carbonyl-diimine complex under visible-light irradiation is deciphered by means of ab initio calculations. By highlighting the key role of triplet states as well as spin-orbit and vibronic couplings, we provide a clear picture of this complicated multi-step process.
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