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The role of the excited state dynamic of the antenna ligand in the lanthanide sensitization mechanism
| dc.contributor.author | Beltrán-Leiva, María J. | |
| dc.contributor.author | Solis-Céspedes, Eduardo | |
| dc.contributor.author | Páez-Hernández, Dayán | |
| dc.date.accessioned | 2020-08-24T15:24:19Z | |
| dc.date.available | 2020-08-24T15:24:19Z | |
| dc.date.issued | 2020 | |
| dc.identifier.uri | http://repositorio.ucm.cl/handle/ucm/3024 | |
| dc.description.abstract | A fragmentation scheme combined with a series of theoretical approximations like TD-DFT, and multiconfigurational CASSCF/NEVPT2 methods, has been used to describe the photophysical phenomena associated with the antenna effect and lanthanide ion emission. The theoretical protocol was used in (Cp2Ph)3Tb and (Cp2Ph)TbCl2(THF)3, where Cp2Ph = diphenylcyclopentadienyl and THF = tetrahydrofuran, organometallic complexes recently reported by Roitershtein et al. (Inorg. Chem., 2018, 57, 10199) The excited-state dynamic of the antenna ligand shows an important vibronic coupling associated with the radiative and non-radiative process with rate constants in the order normally reported for organic molecules. The methodology proposed herein allows a justification of the back-energy transfer observed experimentally in the (Cp2Ph)3Tb complex and the efficient energy transfer mechanism in (Cp2Ph)TbCl2(THF)3, thus proving to be a robust tool in the determination of the sensitization pathways in organometallic lanthanide complexes. | es_CL |
| dc.language.iso | en | es_CL |
| dc.rights | Atribución-NoComercial-SinDerivadas 3.0 Chile | * |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/cl/ | * |
| dc.source | Dalton Transactions, 49(22), 7444-7450 | es_CL |
| dc.title | The role of the excited state dynamic of the antenna ligand in the lanthanide sensitization mechanism | es_CL |
| dc.type | Article | es_CL |
| dc.ucm.indexacion | Scopus | es_CL |
| dc.ucm.indexacion | Isi | es_CL |
| dc.ucm.uri | pubs.rsc.org/en/content/articlelanding/2020/DT/D0DT01132K#!divAbstract | es_CL |
| dc.ucm.doi | doi.org/10.1039/D0DT01132K | es_CL |
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