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- W4313491180 abstract "Six Group 4 metallocene derivatives of group 4 incorporating a redox active benzene-1,2-thiolate ligand (bdt) were prepared. These complexes were characterized using one- and two-dimensional nuclear magnetic resonance (NMR) spectroscopy. Additionally, X-ray crystallographic analyses of these complexes, with the exception of Cp2Zrbdt (Cp = cyclopentadienyl), reveal C2v symmetric structure in the solid-state. All species display electronic absorption bands that are ligand-to-metal charge transfer (LMCT) in character well into the visible region. Spectroscopic data combine with time dependent-density functional theory calculations showed fluctuation in solution which promotes non-radiative energy loss and leads to the absence of emission in solution at room temperature. Cyclic voltammograms have one reversible reduction event that is metal-centered. Except for Cp*2Hfbdt (Cp* = permethylcyclopentadienyl), the remaining five complexes exhibit an irreversible oxidation event." @default.
- W4313491180 created "2023-01-06" @default.
- W4313491180 creator A5021312710 @default.
- W4313491180 date "2023-01-04" @default.
- W4313491180 modified "2023-10-01" @default.
- W4313491180 title "Photophysics and Photochemistry Enabled by Ligand-to-Metal-Charge-Transfer: Unusual Carbon-Carbon Bond Formation at a Zirconium Center" @default.
- W4313491180 doi "https://doi.org/10.33915/etd.11592" @default.
- W4313491180 hasPublicationYear "2023" @default.
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