Geometric structures of palladium oxide cluster anions, PdnOm - (n = 2-7, n ≥ m), were investigated by ion mobility mass spectrometry and quantum chemical calculations. Collision cross sections of the stable compositions, PdnOn-1 - and PdnOn -, were determined from the mobility measurement. Structures of these cluster ions were optimized by density functional theory calculations. The results commonly suggested that the plausible structures for PdnOn-1 - were preferentially constructed by consecutive Pd-O-Pd bonds. For PdnOn - clusters, structures with molecular oxygen (-O-O-) appeared at n ≥ 4 along with atomic oxygen. Moreover, bulky and compact isomers were found to coexist at n = 5 and 6 for PdnOn-1 - and n = 4-6 for PdnOn - from the experimental results. These findings showed a marked contrast with the corresponding cationic clusters in which the metal-core configurations were maintained as observed in the previous study.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films