(INVITED) JOYSpectra: A web platform for luminescence of lanthanides
JOYSpectra is a free-of-charge web platform to 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 on the chemical e...
| Main Authors: | , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2021-08-01
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| Series: | Optical Materials: X |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590147821000103 |
| _version_ | 1818591125990014976 |
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| author | Renaldo T. Moura Jr. Albano N. Carneiro Neto Eduardo C. Aguiar Carlos V. Santos-Jr. Ewerton M. de Lima Wagner M. Faustino Ercules E.S. Teotonio Hermi F. Brito Maria C.F.C. Felinto Rute A.S. Ferreira Luís D. Carlos Ricardo L. Longo Oscar L. Malta |
| author_facet | Renaldo T. Moura Jr. Albano N. Carneiro Neto Eduardo C. Aguiar Carlos V. Santos-Jr. Ewerton M. de Lima Wagner M. Faustino Ercules E.S. Teotonio Hermi F. Brito Maria C.F.C. Felinto Rute A.S. Ferreira Luís D. Carlos Ricardo L. Longo Oscar L. Malta |
| author_sort | Renaldo T. Moura Jr. |
| collection | DOAJ |
| description | JOYSpectra is a free-of-charge web platform to 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 on the chemical environment of the lanthanide ion (Ln3+) such as structure and nature of ligating atoms, can be performed automatically and consider covalency and thermal effects. The program can also calculate the intramolecular energy transfer rates from excited donor states 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 analyses 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: Eu and Tb) complexes to explain and quantify their distinct luminescence properties. |
| first_indexed | 2024-12-16T10:07:28Z |
| format | Article |
| id | doaj.art-0d09e04027734ba08a329df7263f611b |
| institution | Directory Open Access Journal |
| issn | 2590-1478 |
| language | English |
| last_indexed | 2024-12-16T10:07:28Z |
| publishDate | 2021-08-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Optical Materials: X |
| spelling | doaj.art-0d09e04027734ba08a329df7263f611b2022-12-21T22:35:37ZengElsevierOptical Materials: X2590-14782021-08-0111100080(INVITED) JOYSpectra: A web platform for luminescence of lanthanidesRenaldo T. Moura Jr.0Albano N. Carneiro Neto1Eduardo C. Aguiar2Carlos V. Santos-Jr.3Ewerton M. de Lima4Wagner M. Faustino5Ercules E.S. Teotonio6Hermi F. Brito7Maria C.F.C. Felinto8Rute A.S. Ferreira9Luís D. Carlos10Ricardo L. Longo11Oscar L. Malta12Department of Chemistry and Physics, Federal University of Paraíba, Areia, PB, 58397-000, Brazil; Corresponding author.Physics Department and CICECO – Aveiro Institute of Materials, University of Aveiro, Aveiro, 3810-193, Portugal; Corresponding author.Academic Unity of Belo Jardim, Federal Rural University of Pernambuco, Belo Jardim, PE, 55156-580, BrazilDepartment of Chemistry, Federal University of Rio Grande do Norte, Natal, RN, 59078-970, BrazilDepartment of Chemistry and Physics, Federal University of Paraíba, Areia, PB, 58397-000, BrazilDepartment of Chemistry, Federal University of Paraíba, João Pessoa, PB, 58051-970, BrazilDepartment of Chemistry, Federal University of Paraíba, João Pessoa, PB, 58051-970, BrazilInstitute of Chemistry, University of São Paulo, São Paulo, SP, 05508-000, BrazilNuclear and Energy Research Institute - IPEN/CNEN, São Paulo, SP, 05508-000, BrazilPhysics 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, PortugalDepartment of Fundamental Chemistry, Federal University of Pernambuco, Recife, PE, 50670-901, BrazilDepartment of Fundamental Chemistry, Federal University of Pernambuco, Recife, PE, 50670-901, Brazil; Corresponding author.JOYSpectra is a free-of-charge web platform to 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 on the chemical environment of the lanthanide ion (Ln3+) such as structure and nature of ligating atoms, can be performed automatically and consider covalency and thermal effects. The program can also calculate the intramolecular energy transfer rates from excited donor states 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 analyses 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: Eu and Tb) complexes to explain and quantify their distinct luminescence properties.http://www.sciencedirect.com/science/article/pii/S2590147821000103Lanthanide spectroscopyWeb platformJOYSpectra4f-4f intensitiesIntramolecular energy transfer |
| spellingShingle | Renaldo T. Moura Jr. Albano N. Carneiro Neto Eduardo C. Aguiar Carlos V. Santos-Jr. Ewerton M. de Lima Wagner M. Faustino Ercules E.S. Teotonio Hermi F. Brito Maria C.F.C. Felinto Rute A.S. Ferreira Luís D. Carlos Ricardo L. Longo Oscar L. Malta (INVITED) JOYSpectra: A web platform for luminescence of lanthanides Optical Materials: X Lanthanide spectroscopy Web platform JOYSpectra 4f-4f intensities Intramolecular energy transfer |
| title | (INVITED) JOYSpectra: A web platform for luminescence of lanthanides |
| title_full | (INVITED) JOYSpectra: A web platform for luminescence of lanthanides |
| title_fullStr | (INVITED) JOYSpectra: A web platform for luminescence of lanthanides |
| title_full_unstemmed | (INVITED) JOYSpectra: A web platform for luminescence of lanthanides |
| title_short | (INVITED) JOYSpectra: A web platform for luminescence of lanthanides |
| title_sort | invited joyspectra a web platform for luminescence of lanthanides |
| topic | Lanthanide spectroscopy Web platform JOYSpectra 4f-4f intensities Intramolecular energy transfer |
| url | http://www.sciencedirect.com/science/article/pii/S2590147821000103 |
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