The role played by structural and energy parameters of β-Diketones derivatives as antenna ligands in Eu(III) complexes

Lily Arrué; Julián Santoyo-Flores; Nancy Pizarro; Ximena Zarate; Dayan Páez-Hernández; Eduardo Schott

doi:10.1016/j.cplett.2021.138600

The role played by structural and energy parameters of β-Diketones derivatives as antenna ligands in Eu(III) complexes

Lily Arrué, Julián Santoyo-Flores, Nancy Pizarro, Ximena Zarate, Dayan Páez-Hernández, Eduardo Schott

Producción científica: Contribución a una revista › Artículo › revisión exhaustiva

16 Citas (Scopus)

Resumen

Structural and energy parameters role of six β-diketone antennas (symmetry, bulkiness, quenching bonds, donor groups and coordination) were analyzed. Six β-diketone derivatives and its complexes Eu(Phen)(X)₃ and Gd(Phen)(X)₃(X = β-diketone), were synthetized, characterized, experimentally studied through photophysical characterization. To analyze the contribution of each antenna to the photophysical properties, TD-DFT calculations were performed. To elucidate the antennas/Eu(III) energy levels involved in the energy transfer process CASSCF calculations were performed. Two antenna ligands effectively feed the europium center. A ligand without symmetry, with donor groups, without quenching bonds, and capable to fulfill the energy requirements, is the best antenna ligand for these complexes.

Idioma original	Inglés
Número de artículo	138600
Publicación	Chemical Physics Letters
Volumen	773
DOI	https://doi.org/10.1016/j.cplett.2021.138600
Estado	Publicada - 16 jun. 2021

Áreas temáticas de ASJC Scopus

Física y astronomía (todo)
Química física y teórica

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title = "The role played by structural and energy parameters of β-Diketones derivatives as antenna ligands in Eu(III) complexes",

abstract = "Structural and energy parameters role of six β-diketone antennas (symmetry, bulkiness, quenching bonds, donor groups and coordination) were analyzed. Six β-diketone derivatives and its complexes Eu(Phen)(X)3 and Gd(Phen)(X)3(X = β-diketone), were synthetized, characterized, experimentally studied through photophysical characterization. To analyze the contribution of each antenna to the photophysical properties, TD-DFT calculations were performed. To elucidate the antennas/Eu(III) energy levels involved in the energy transfer process CASSCF calculations were performed. Two antenna ligands effectively feed the europium center. A ligand without symmetry, with donor groups, without quenching bonds, and capable to fulfill the energy requirements, is the best antenna ligand for these complexes.",

keywords = "Antenna effect, DFT lanthanides, Eu(III) complexes, phtophysical characterization",

author = "Lily Arru{\'e} and Juli{\'a}n Santoyo-Flores and Nancy Pizarro and Ximena Zarate and Dayan P{\'a}ez-Hern{\'a}ndez and Eduardo Schott",

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doi = "10.1016/j.cplett.2021.138600",

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T1 - The role played by structural and energy parameters of β-Diketones derivatives as antenna ligands in Eu(III) complexes

AU - Arrué, Lily

AU - Santoyo-Flores, Julián

AU - Pizarro, Nancy

AU - Zarate, Ximena

AU - Páez-Hernández, Dayan

AU - Schott, Eduardo

PY - 2021/6/16

Y1 - 2021/6/16

N2 - Structural and energy parameters role of six β-diketone antennas (symmetry, bulkiness, quenching bonds, donor groups and coordination) were analyzed. Six β-diketone derivatives and its complexes Eu(Phen)(X)3 and Gd(Phen)(X)3(X = β-diketone), were synthetized, characterized, experimentally studied through photophysical characterization. To analyze the contribution of each antenna to the photophysical properties, TD-DFT calculations were performed. To elucidate the antennas/Eu(III) energy levels involved in the energy transfer process CASSCF calculations were performed. Two antenna ligands effectively feed the europium center. A ligand without symmetry, with donor groups, without quenching bonds, and capable to fulfill the energy requirements, is the best antenna ligand for these complexes.

AB - Structural and energy parameters role of six β-diketone antennas (symmetry, bulkiness, quenching bonds, donor groups and coordination) were analyzed. Six β-diketone derivatives and its complexes Eu(Phen)(X)3 and Gd(Phen)(X)3(X = β-diketone), were synthetized, characterized, experimentally studied through photophysical characterization. To analyze the contribution of each antenna to the photophysical properties, TD-DFT calculations were performed. To elucidate the antennas/Eu(III) energy levels involved in the energy transfer process CASSCF calculations were performed. Two antenna ligands effectively feed the europium center. A ligand without symmetry, with donor groups, without quenching bonds, and capable to fulfill the energy requirements, is the best antenna ligand for these complexes.

KW - Antenna effect

KW - DFT lanthanides

KW - Eu(III) complexes

KW - phtophysical characterization

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VL - 773

JO - Chemical Physics Letters

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The role played by structural and energy parameters of β-Diketones derivatives as antenna ligands in Eu(III) complexes

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