The aim is to explore the stability and structures of MBn–1Hn–1 clusters with group 10 metal vertices and their aromatic properties.
Utilized density functional theory for structural analysis
Examined clusters with varying sizes (n = 5 to 14)
Focused on group 10 metals: Ni, Pd, Pt
Identified lowest energy structures exhibiting spherical aromaticity
Demonstrated stability trends in clusters with varying metal types and sizes
Abstract
The MBn–1Hn–1 (M = Ni, Pd, Pt; n = 5 to 14) clusters with bare group 10 metal vertices have been examined by density functional theory. The lowest energy structures...