1. Electronic Structure and Geometry of the Lowest 2LMCT State of Fe(III) Potential Fluorescent Emitters
- Author
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Tabea Huss, Isabelle M. Dixon, Laboratoire de Chimie et Physique Quantiques (LCPQ), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), and Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)
- Subjects
Inorganic Chemistry ,[CHIM]Chemical Sciences ,Physical and Theoretical Chemistry - Abstract
International audience; Metal complexes with a 3d6 electron count are emerging as an alternative to 4d6-based photosensitizers, emitters, or photoredox catalysts. In recent years several Fe(II) potential emitters have been proposed, based on strongly donating ligand sets. Those tend to facilitate oxidation to their 3d5 species, whose photophysics is based on low-lying ligand-to-metal charge transfer (LMCT) states. The geometry and electronic structure of 2LMCT states are unveiled in this work.
- Published
- 2023
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