Photoelectron spectroscopic study of iron-pyrene cluster anions

Authors

Xiang Li, Johns Hopkins University
Kit H. Bowen Jr., Johns Hopkins UniversityFollow
Puru Jena, Virginia Commonwealth UniversityFollow
Anil K. Kandalam, McNeese State University

Document Type

Article

Original Publication Date

2011

Journal/Book/Conference Title

The Journal of Chemical Physics

Volume

135

Issue

20

DOI of Original Publication

10.1063/1.3661984

Comments

Originally published at http://dx.doi.org/10.1063/1.3661984

Date of Submission

October 2015

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 Fe₁(pyrene)₁ and Fe₂(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.

Rights

Li, X., Bowen Jr, K. H., & Jena, P., et al. Photoelectron spectroscopic study of iron-pyrene cluster anions. The Journal of Chemical Physics, 135, 204301 (2011). Copyright © 2011 American Institute of Physics.

Is Part Of

VCU Physics Publications