Anti-thermal quenching in NdIII molecular near-infrared thermometers operating at physiological temperatures DOI Creative Commons
María José Maldonado,

Patricia Farías-Carreño,

Yolimar Gil

et al.

Communications Chemistry, Journal Year: 2025, Volume and Issue: 8(1)

Published: May 3, 2025

Language: Английский

Sol-gel auto-combustion synthesis and characterization of Eu2CrMnO6 nanostructures as a potential electrochemical hydrogen storage material DOI
Vahid Rahimkhoei, Masood Hamadanian, Masoud Salavati‐Niasari

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 102, P. 247 - 259

Published: Jan. 9, 2025

Language: Английский

Citations

3
High red luminescence intensity under sunlight exposure of a PMMA polymer doped with a tetrakis Eu3+ β-diketonate complex containing a benzimidazolium counterion DOI Creative Commons
Israel P. Assunção, Israel F. Costa, Lucca Blois

et al.

RSC Advances, Journal Year: 2025, Volume and Issue: 15(1), P. 435 - 445

Published: Jan. 1, 2025

New tetrakis Eu 3+ and Gd β-diketonate complexes containing benzimidazolium (Bzim) as the counterion were synthesized by one-pot method successfully doped into a PMMA matrix at different concentrations.

Language: Английский

Citations

0
Assessment of DFT Functionals for Structural Determination of Lanthanide(III) Complexes Using Ligand Field Splitting DOI Open Access
Lucca Blois, Renaldo T. Moura, Ricardo L. Longo

et al.

Journal of Computational Chemistry, Journal Year: 2025, Volume and Issue: 46(2)

Published: Jan. 13, 2025

ABSTRACT Lanthanide (Ln 3+ ) tetrakis complexes, C[Ln(L) 4 ], are important for applications due to their high quantum yields, solubility, and stability. Their luminescent properties depend on the structure, particularly coordination polyhedron, assessment of computational methods calculating structures is paramount. Usually, this uses RMSD distances in [Ln(L) ] − complex or {LnO 8 } polyhedron between crystallographic calculated structures. However, since ligand field (LF) splitting highly geometry‐dependent, experimental LF Stark levels (RMSD‐LF) offers a more accurate measure evaluating methods. energy eigenvalues were using simple overlap model (SOM), with geometries optimized by various density functionals. M06 M06‐L functionals, def2‐SVP/MWB52(Eu)/CPCM, demonstrate best balance accuracy low cost, making them suitable modeling C[Eu(L) complexes.

Language: Английский

Citations

0
Anti-thermal quenching in NdIII molecular near-infrared thermometers operating at physiological temperatures DOI Creative Commons
María José Maldonado,

Patricia Farías-Carreño,

Yolimar Gil

et al.

Communications Chemistry, Journal Year: 2025, Volume and Issue: 8(1)

Published: May 3, 2025

Language: Английский

Citations

0