Tuning luminescence in gold(i)-phosphine complexes : structural, photophysical, and theoretical insights
Atencio, A. P., Burguera, S., Zhuchkov, G., de Aquino, A., Ward, J. S., Rissanen, K., Lima, J. C., Angurell, I., Frontera, A., & Rodríguez, L. (2025). Tuning luminescence in gold(i)-phosphine complexes : structural, photophysical, and theoretical insights. Inorganic Chemistry Frontiers, Early online. https://doi.org/10.1039/d4qi03225j
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Inorganic Chemistry FrontiersAuthors
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2025Copyright
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Gold(I) complexes featuring phosphine ligands functionalized with chromophores such as triphenylene, phenanthrene, and carbazole were synthesized and systematically studied to explore the relationship between molecular structure and luminescence properties. Comprehensive photophysical characterization revealed that the coordination environment and chromophore positioning significantly influence intersystem crossing, phosphorescence, and aggregation behavior. In solution, aggregation-induced phenomena were probed using computational tools, including density functional theory (DFT) and noncovalent interaction (NCI) analysis, revealing diverse π-stacking and Au⋯π interactions. Distinct photophysical trends were identified among the three series of compounds, with triphenylene derivatives exhibiting aggregation-induced emission broadening and phenanthrene derivatives showing strong heavy atom effects. The combination of experimental and theoretical insights provides a foundation for designing luminescent materials with tunable properties for optoelectronic applications.
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Royal Society of Chemistry (RSC)ISSN Search the Publication Forum
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https://converis.jyu.fi/converis/portal/detail/Publication/245385763
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The authors are grateful to Projects PID2020-115637GB-I00, PID2022-139296NB-I00 and PID2023-148453NB-I00 funded by the Ministerio de Ciencia, Innovación y Universidades of Spain MCIU/AEI/10.13039/501100011033 and FEDER, UE. This article is based upon work from COST Action CA22131, LUCES Supramolecular LUminescent Chemosensors for Environmental Security, supported by COST (European Cooperation in Science and Technology). Also acknowledges IFARHU-SENACYT program in Panamá for the grant no. 270- 2022-112 as Ph.D. Scholarship.

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