Structure Assignment and Separation of Isomers of Palladium Oxide Cluster Anions Studied by Ion Mobility Mass Spectrometry

M. Abdul Latif, Toshiaki Nagata, Motoyoshi Nakano, Keijiro Ohshimo, Fuminori Misaizu

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
Pages (from-to)9604-9610
Number of pages7
JournalJournal of Physical Chemistry C
Volume124
Issue number17
DOIs
Publication statusPublished - 2020 Apr 30
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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