ArticleThe journal of physical chemistry letters2025
On the Role of Spin-Orbit Coupling and State-Crossing Topography in the Nonradiative Decay of Ir(III) Complexes.
Article in The journal of physical chemistry letters, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- How Structural Subtleties Modulate Excited-State Lifetimes in Cyclometalated Cobalt(III) Complexes: Nonadiabatic Molecular Dynamics Study.Journal of computational chemistry · 2026Article
- Cyclometalated Ir(iii) complexes bridged by µ-OH and µ-3,5-bis(4-methoxyphenyl)-pyrazole ligands.RSC advances · 2026Article
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5 authors.
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Abstract
A pillar of our current understanding of the photoluminescence of Ir(III) complexes is the assumption that the population of triplet metal-centered states determines an efficient nonradiative decay to the ground state minimum. Based on that assumption, the energy separation between the emitting state and the minimum-energy crossing point of the triplet metal-centered and ground states has been employed as a key variable for evaluating the ability of Ir(III) complexes to decay nonradiatively. We demonstrate that the strong spin-orbit coupling between the triplet metal-centered and ground state of Ir(III) complexes, together with the sloped topography of their crossing, leads to a significant energy separation between the two states, resulting in a reduced rate of nonradiative ground state recovery. Therefore, we propose that the role of metal-centered states is defined by the tendency of the excited state population to remain trapped in the metal-centered minima.
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