Size-Dependent Geometrical Structures of Platinum Oxide Cluster Cations Studied by Ion Mobility-Mass Spectrometry

Yuto Nakajima; M Abdul Latif; Toshiaki Nagata; Keijiro Ohshimo; Fuminori Misaizu

doi:10.1021/acs.jpca.2c09017

Size-Dependent Geometrical Structures of Platinum Oxide Cluster Cations Studied by Ion Mobility-Mass Spectrometry

J Phys Chem A. 2023 Apr 27;127(16):3570-3576. doi: 10.1021/acs.jpca.2c09017. Epub 2023 Apr 14.

Authors

Yuto Nakajima¹, M Abdul Latif¹, Toshiaki Nagata¹, Keijiro Ohshimo¹, Fuminori Misaizu¹

Affiliation

¹ Department of Chemistry, Graduate School of Science, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai 980-8578, Japan.

PMID: 37058573
DOI: 10.1021/acs.jpca.2c09017

Abstract

Structures of platinum oxide cluster cations (Pt_nO_m⁺) were studied by ion mobility-mass spectrometry in combination with theoretical calculations. Structures of oxygen-equivalent Pt_nO_n⁺ (n = 3-7) clusters were discussed from the comparison between their collision cross sections (CCSs) obtained by mobility measurement and simulated CCSs of their structural candidates from structural optimization calculations. Assigned structures of Pt_nO_n⁺ were found to be composed of Pt frameworks and bridging O atoms, which follows the previous theoretical prediction on the neutral clusters. The structures change from planar (n = 3 and 4) to three-dimensional (n = 5-7) with increasing cluster size by deforming platinum frameworks. Comparison with other group-10 metal oxide cluster cations (M_nO_n⁺; M = Ni and Pd) showed that the Pt_nO_n⁺ structures have a similar tendency to Pd_nO_n⁺ rather than Ni_nO_n⁺.