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Photoelectron spectroscopic study of iron-pyrene cluster anions.

Authors
Type
Published Article
Journal
The Journal of Chemical Physics
1089-7690
Publisher
American Institute of Physics
Publication Date
Volume
135
Issue
20
Pages
204301–204301
Identifiers
DOI: 10.1063/1.3661984
PMID: 22128929
Source
Medline
License
Unknown

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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