RT info:eu-repo/semantics/article
T1 Solid state luminescence of phosphine-EWO ligands with fluorinated chalcone skeletons and their PdX2 complexes: metal-promoted phosphorescence enhancement
A1 Ponce de León Pintado, Jaime
A1 Peñas de Frutos, Marconi Nicolás
A1 Vélez Blasco, Andrea
A1 Aullón, Gabriel
A1 Espinet Rubio, Pablo
K1 Luminescence
K1 Luminiscencia
K1 2210 Química Física
AB Complexes trans-[PdX2L2] (X = Cl and Br), where L is 1-(PR2),2-(CH[double bond, length as m-dash]CH–C(O)Ph)-C6F4 (R = Ph, Cy, and iPr), display phosphorescent emission in the solid state, whereas due to their substantially lower lifetimes, the free ligands exhibit fluorescent behaviour. Alternatively, structurally identical derivatives with halide replaced by CN− or Pd replaced by Pt are non-emissive. DFT calculations explain this diverse behaviour, showing that the hybridization of orbitals of the MX2 moiety with those of the chalcone fragment of ligands is significant only for the LUMO of the emissive compounds. In other words, in our complexes, only MLMCT processes (LM = Metal-perturbed Ligand-centered orbital) lead to observable luminescence.
PB Royal Society of Chemistry
SN 1477-9226
YR 2023
FD 2023
LK https://uvadoc.uva.es/handle/10324/59407
UL https://uvadoc.uva.es/handle/10324/59407
LA eng
NO Dalton Transactions, 2023, 52, 3265–3269
NO Producción Científica
DS UVaDOC
RD 16-ago-2024