Ligand shell size effects on one- and two-photon excitation fluorescence of zwitterion functionalized gold nanoclusters

Martina Perić (1) , Zeljka Sanader (1) , Isabelle Russier-Antoine (2) , Hussein Fakhouri (2) , Franck Bertorelle (2) , Pierre-François Brevet (2) , Xavier Le Guével (3) , Rodolphe Antoine (2) , Vlasta Bonačić- Koutecký (1, 4)

1 Center of Excellence for Science and Technnology - Integration of mediterranean region (STIM)
2 ILM - Institut Lumière Matière [Villeurbanne]
3 IAB - Institute for Advanced Biosciences / Institut pour l'Avancée des Biosciences (Grenoble)
4 HU Berlin - Humboldt-Universität zu Berlin = Humboldt University of Berlin = Université Humboldt de Berlin

Gold nanoclusters (Au NCs) are an emerging class of luminescent nanomaterials but still suffer from moderate photoluminescence quantum yields. Recent efforts have focused on tailoring their emission properties. Introducing zwitterionic ligands to cap the metallic kernel is an efficient approach to enhance their one-photon excitation fluorescence intensity. In this work, we extend this concept to the nonlinear optical regime, i.e. two-photon excitation fluorescence. For a proper comparison between theory and experiment, both ligand and solvent effects should be considered. The effects of explicit ligands and of aqueous solvent on the optical properties of zwitterion functionalized gold nanoclusters have been studied by performing quantum mechanics/molecular mechanics (QM/MM) simulations.

Domaines: Optique / photonique; Matériaux; Chimie théorique et/ou physique

Martina Perić, Zeljka Sanader, Isabelle Russier-Antoine, Hussein Fakhouri, Franck Bertorelle, et al.. Ligand shell size effects on one- and two-photon excitation fluorescence of zwitterion functionalized gold nanoclusters. Physical Chemistry Chemical Physics, 2019, 21 (43), pp.23916-23921. ⟨10.1039/c9cp05262c⟩. ⟨hal-02355427⟩