The binding of SO2 on gas-phase gold cluster anions, AuN −, and their hydroxide counterparts, AuNOH−, have been studied using density functional theory combined with flow reactor/time-of-flight mass spectrometry techniques. SO2 is adsorbed on all of the AuN − and AuNOH− clusters (N = 1-8) and the hydroxide clusters are more active than the bare anionic clusters. Successive additions of SO2 molecules (up to four) have been analyzed. In all cases, anionic clusters are shown to bind multiple SO2 molecules. Theoretical analyses are in agreement with the experimental results, showing that the addition of more than one molecule is thermodynamically favorable. Larger clusters do not necessarily absorb more molecules, as different SO2 binding motifs on these clusters are present. These results provide important insight for the potential use of these anionic clusters as SO2 hunters.
- anionic small gold clusters
- mass spectrometry
- successive SO adsorption
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry