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

Research output: Contribution to journal › Article › peer-review

20 Citations (Scopus)

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.

Original language	English
Article number	138600
Journal	Chemical Physics Letters
Volume	773
DOIs	https://doi.org/10.1016/j.cplett.2021.138600
Publication status	Published - 16 Jun 2021

Keywords

Antenna effect
DFT lanthanides
Eu(III) complexes
phtophysical characterization

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2021.138600

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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.",

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

Abstract

Keywords

ASJC Scopus subject areas

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