Abstract
Photoelectron spectroscopy measurements and density functional theory calculations are combined to determine structures of ( ) clusters. A detailed comparison between observed and calculated electronic binding energies shows that the clusters have low-symmetry compact 3D structures and the lowest possible total spin, except for the three- and five-atom clusters which are in triplet states. We find evidence for the coexistence of two isomers of under some experimental conditions. This approach shows great promise for structural characterization of small clusters.
- Received 22 August 1996
DOI:https://doi.org/10.1103/PhysRevLett.77.4528
©1996 American Physical Society