Revealing the exchange kinetics of thiol-capped Au₂₅ nanoclusters with alkynyl ligands.

ABSTRACT: Ligand exchange is an important strategy to functionalize metal nanoclusters (NCs) for enhanced properties. Thiolates and alkynyls have been widely used for NC protection; however, the possibility for alkynyl-for-thiolate exchange as well as the kinetics for the ligand exchange process have remained largely unexplored. Herein, we have reported for the first time a kinetic investigation into the alkynyl-for-thiolate exchange through the reaction of thiolated Au₂₅(SR)₁₈ with the incoming alkynyl ligands. Interestingly, our simulations revealed the electronic and steric effects of alkynyl ligands and the precursor cluster's charge state collectively govern the exchange efficiency and regioselectivity. Notably, the alkynyl-for-thiolate exchange is highly facile when react

SUBMITTER: Chen Y 

PROVIDER: S-EPMC12434496 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature