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- W4377224622 abstract "Abstract A series of four homoleptic cationic Zn II complexes ( Zn1 – Zn4 ) coordinated by two substituted bis ‐imidazo[1,2‐ a ]pyridine (ImPy) ligands ( L1 – L4 ) is herein presented. The ligands are functionalized with either electron acceptor or donor functional groups at the C6 positions of the two ImPy moieties. In DMF solution, all of the complexes display intense near‐UV to blue emission (λ em =379–450 nm) with high photoluminescence quantum yields (PLQY) up to 0.50 and short‐lived excited states. Additionally, complex Zn4 , containing the ‐NPh 2 functionalized ligand, displays an interesting solvatochromic behavior. The absorption spectrum is characterized by electronic transitions with mainly ligand‐centered ( 1 LC) and intraligand charge‐transfer ( 1 ILCT) character, which involves a symmetric electron density redistribution at Franck‐Condon (FC). In stark contrast, the subsequent excited‐state dynamics relaxes the molecular symmetry and allows symmetry‐breaking hole‐electron pair redistribution on the bichromophoric system. As a consequence, an efficient radiative de‐excitation process takes place that is ascribed to a singlet‐manifold excited state with symmetry‐broken charge transfer ( 1 SBCT) character, as supported by an in‐depth photophysical, electrochemical and time‐dependent density functional theory (TD‐DFT) investigation. Remarkably, the 1 SBCT nature provides structureless green photoluminescence in the solid state (λ em up to 520 nm for Zn4 ), which is rather uncommon for Zn II complexes." @default.
- W4377224622 created "2023-05-23" @default.
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- W4377224622 date "2023-06-12" @default.
- W4377224622 modified "2023-10-13" @default.
- W4377224622 title "Symmetry‐Broken Charge‐Transfer Excited State in Homoleptic Zinc(II) Imidazo[1,2‐<i>a</i>]pyridine Complexes" @default.
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- W4377224622 doi "https://doi.org/10.1002/cptc.202300092" @default.
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