Spontaneous Water-Promoted Self-Aggregation of a Hydrophilic Gold(I) Complex Due to Ligand Sphere Rearrangement.
Ainhoa Rodríguez-GobernadoDaniel BlascoMiguel MongeJosé M López-de-LuzuriagaPublished in: Molecules (Basel, Switzerland) (2023)
Aggregating gold(I) complexes in solution through short aurophilic contacts promotes new photoluminescent deactivation pathways (aggregation-induced emission, AIE). The time dependence of spontaneous AIE is seldom studied. We examine the behavior of complex [Au( N 9 -hypoxanthinate)(PTA)] ( 1 ) in an aqueous solution with the aid of variable-temperature NMR, time-resolved UV-Vis and photoluminescence spectroscopy, and PGSE NMR. The studies suggest that partial ligand scrambling in favor of the ionic [Au(PTA) 2 ][Au( N 9 -hypoxanthinate) 2 ] pair followed by anion oligomerization takes place. The results are rationalized with the aid of computational calculations at the TD-DFT level of theory and IRI analysis of the electron density.
Keyphrases
- solid state
- aqueous solution
- sensitive detection
- reduced graphene oxide
- density functional theory
- quantum dots
- living cells
- fluorescent probe
- high resolution
- molecular dynamics
- ionic liquid
- visible light
- silver nanoparticles
- molecular dynamics simulations
- magnetic resonance
- molecular docking
- liquid chromatography
- case control
- energy transfer