Sequential growth of iridium cluster anions based on simple cubic packing†
Abstract
Geometric structures of free iridium cluster anions, Irn−, were examined by means of ion mobility mass spectrometry and density functional theory calculation for n = 3–15 with the additional help of photoelectron spectroscopy for n = 4–10. It has been revealed that Irn− clusters with n ≥ 5 favor a square facet and take a cubic motif in contrast to the face-centered cubic structures in the corresponding nanoparticles and bulk. A growth sequence of Irn− for n = 5–15 is proposed: single Ir atoms are sequentially attached to one side of the square plane of Ir4− to form a cubic Ir8−, and are then continuously attached on one of the square facets of Ir8− for n = 9–12 and Ir12− for n = 13–15.
- This article is part of the themed collection: 2020 PCCP HOT Articles