The role of the electron density of the acceptor in efficient diphenylphosphino-gold( <scp>i</scp> ) TADF emitters
Emissive properties of diphosphino-gold( i ) complexes displaying tunable TADF behaviour are strongly influenced by the electronic structure of the ligands. ONIOM calculations at the ADC(2):QM/MM level enable modeling of gold-based emitters.
Authors
- Dage Sundholm (ORCID: https://orcid.org/0000-0002-2367-9277)
- Miguel Monge (ORCID: https://orcid.org/0000-0002-9672-8279)
- José M. López‐de‐Luzuriaga (ORCID: https://orcid.org/0000-0001-5767-8734)
- M. Elena Olmos (ORCID: https://orcid.org/0000-0001-8890-8977)
- Inés Soldevilla (ORCID: https://orcid.org/0000-0001-7885-387X)
- Rinat T. Nasibullin (ORCID: https://orcid.org/0000-0002-2218-1944)
- María Rodríguez‐Castillo (ORCID: https://orcid.org/0000-0002-9450-2305)
- Rashid R. Valiev (ORCID: https://orcid.org/0000-0002-2088-2608)
- Oliver Baltar (ORCID: https://orcid.org/0000-0002-2474-4472)
Institutions
- University of Helsinki (FI)
- Universidad de La Rioja (ES)
Publication Details
- Journal
- Inorganic Chemistry Frontiers
- Published
- 2025-11-14
- DOI
- https://doi.org/10.1039/d5qi01661d
- Primary Topic
- Organic Light-Emitting Diodes Research
- Type
- article
- Field-Weighted Citation Impact
- 0.00