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It is an advertisement and is not an official part of the Safety Center. Only information and directions for the.Temporal characterization of electronic structure and dephasing mechanisms in organic complexes of iridium-based polypyridyl dyes.
The excited states of metallo-organic complexes are of the utmost importance for understanding the eventual photocatalytic activity of metal-centered catalysts. We recently explored photophysical aspects of iridium polypyridyl complexes in metal-to-ligand charge transfer (MLCT) states, which are known to be the key intermediate states of photocatalytic activity. In the present work, we examine the excited states and dephasing mechanisms of complex C6(2H)10[Ir(dme-o)2(pic)2] (Ir-pic) in which both pic and dme-o are the C6-coordinated phenanthroline ligands and the ground state is S8. The study combines femtosecond pump and probe spectroscopy on the picolinate protected complex with density functional theory (DFT) calculations to dissect the photochemistry from the molecular dynamics. Our results clearly show that excited states of the Ir-pic complex are sensitive to the metal-ligand environment. Consequently, the lowest excited state of Ir-pic is protected from back-relaxation, which can be attributed to the metal-ligand charge transfer transitions to lower-energy ligand-centered states. In addition to the already established linkage to open-shell d-d bands, the excited states are also affected by the spin-orbit coupling on both the metal and the ligand, which can be attributed to a change of the metal electron configuration and the ligand p-orbital character, respectively. The spin-orbit coupling also explains the observed difference in dynamics between meta and para methyl substituted ligands. Our findings put forward the metal-ligand environment as an important contribution for the excited state dynamics of the metallo-organic complexes.com/kaneti/digitalocean/)

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