Structural and bonding analysis of PtO₂^- anion and neutral clusters

This study investigates the structures and bonding properties of gas-phase PtO2- anion and PtO2 neutral using anion photoelectron spectroscopy and theoretical calculations. Notably, both species adopt a D-infinity h symmetric linear O-Pt-O structure, with PtO2 neutral featuring notably shorter Pt-O bond lengths. Charge transfer from the central Pt atom to the terminal O-2 motifs is evident in both clusters, as indicated by Natural Population Analysis (NPA). Chemical bonding analysis reveals sigma and pi double bonding patterns in PtO2- anion, while PtO2 neutral demonstrates sigma and pi antiaromaticity. This research enhances our understanding of platinum oxide clusters and their potential in developing co-catalysts for efficient solar-driven water splitting.