Published February 21, 2022 | Version v1
Journal article Open

JOYSpectra: a web platform for luminescence of lanthanides

Creators

  • 1. Department of Chemistry and Physics, Federal University of Paraíba, Areia-PB, 58397-000, Brazil
  • 2. Physics Department and CICECO – Aveiro Institute of Materials, University of Aveiro, Aveiro, 3810-193, Portugal
  • 3. Academic Unity of Belo Jardim, Federal Rural University of Pernambuco, Belo Jardim-PE, 55156-580, Brazil
  • 4. Department of Chemistry, Federal University of Rio Grande do Norte, Natal-RN, 59078-970, Brazil
  • 5. Department of Chemistry, Federal University of Paraíba, João Pessoa-PB, 58051-970, Brazil
  • 6. Institute of Chemistry, University of São Paulo, São Paulo-SP, 05508-000, Brazil
  • 7. Nuclear and Energy Research Institute - IPEN/CNEN, São Paulo-SP, 05508-000, Brazil
  • 8. Physics Department and CICECO – Aveiro Institute of Materials, University of Aveiro, Aveiro, 3810-193, PortugalPhysics Department and CICECO – Aveiro Institute of Materials, University of Aveiro, Aveiro, 3810-193, Portugal
  • 9. Department of Fundamental Chemistry, Federal University of Pernambuco, Recife-PE, 50670-901, Brazil

Description

JOYSpectra is a free-of-charge web platform for perform online calculations of spectroscopic properties of lanthanide-based compounds and materials. It has several features and functionalities to provide a detailed analysis of the intensity parameters. For instance, their dependence with the chemical environment of the lanthanide ion such as structure and nature of ligating atoms, can be performed automatically and take into account covalency and thermal effects. The program can also calculate the intramolecular energy transfer rates from a single donor state (S1 or T1) up to 310 transitions involving 12 Ln3+ ions. The web platform was designed to be user-friendly for experimentalists and theoreticians interested in calculations and analysis of the photophysical behavior of lanthanides. Its use requires only the structure of the compound and the choices of a few calculation options. To show its easiness and usefulness, a detailed step-by-step calculation and analysis are performed for the [Ln(tta)3(H2O)2] (Ln: Eu3+ and Tb3+) complexes to explain and quantify their distinct luminescence.

Notes

Financial support from the NanoTBtech European Union's Horizon 2020 FET Open programme under grant agreement no. 801305

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Additional details

Funding

European Commission
NanoTBTech - Nanoparticles-based 2D thermal bioimaging technologies 801305