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Updated: May 27, 2026

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−
Published on: July 27, 2018
Photoelectron spectroscopic study of iron-pyrene cluster anions
Xiang Li1, Kit H Bowen, Puru Jena
1Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA.
Abstract:
Iron-pyrene cluster anions, [Fe(m)(pyrene)(n)](-) (m = 1-2, n = 1-2) were studied in the gas phase by photoelectron spectroscopy, resulting in the determination of their electron affinity and vertical detachment energy values. Density functional theory calculations were also conducted, providing the structures and spin multiplicities of the neutral clusters and their anions as well as their respective electron affinity and vertical detachment energy values. The calculated magnetic moments of neutral Fe(1)(pyrene)(1) and Fe(2)(pyrene)(1) clusters suggest that a single pyrene molecule could be a suitable template on which to deposit small iron clusters, and that these in turn might form the basis of an iron cluster-based magnetic material. A comparison of the structures and corresponding photoelectron spectra for the iron-benzene, iron-pyrene, and iron-coronene cluster systems revealed that pyrene behaves more similarly to coronene than to benzene.
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