AI Article Synopsis
- The study investigates the chemical and spectroscopic properties of various copper-based photosensitizers, using advanced computational methods to understand how charge and structural flexibility affect their photophysical behavior.
- Techniques like ultrafast transient absorption and FTIR spectroscopy demonstrate how charge influences the triplet state characteristics, including a flattening distortion observed in one variant (CuLH).
- Time-resolved luminescence and photodissociation spectroscopy reveal long-lived triplet states with lifetimes in the tens of microseconds, crucial for potential applications in photocatalysis and luminescent technologies.
Article Abstract
Chemical and spectroscopic characterization of the mononuclear photosensitizers [(DPEPhos)Cu(I)(MPyrT)] (CuL, CuLH) and their dinuclear analogues (Cu L', Cu L'H ), backed by (TD)DFT and high-level GW-Bethe-Salpeter equation calculations, exemplifies the complex influence of charge, nuclearity and structural flexibility on UV-induced photophysical pathways. Ultrafast transient absorption and step-scan FTIR spectroscopy reveal flattening distortion in the triplet state of CuLH as controlled by charge, which also appears to have a large impact on the symmetry of the long-lived triplet states in Cu L' and Cu L'H . Time-resolved luminescence spectroscopy (solid state), supported by transient photodissociation spectroscopy (gas phase), confirm a lifetime of some tens of μs for the respective triplet states, as well as the energetics of thermally activated delayed luminescence, both being essential parameters for application of these materials based on earth-abundant copper in photocatalysis and luminescent devices.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8597052 | PMC |
| http://dx.doi.org/10.1002/chem.202102760 | DOI Listing |
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