Document Type
Article
Original Publication Date
2008
Journal/Book/Conference Title
The Journal of Chemical Physics
Volume
129
Issue
7
DOI of Original Publication
10.1063/1.2968609
Date of Submission
October 2015
Abstract
Fem(coronene)n (m=1,2, n=1,2) cluster anions were generated by a laser vaporization source and studied by anion photoelectron spectroscopy. Density functional theory was used to calculate the structures and the spin multiplicities of those clusters as well as the electron affinities and photodetachment transitions. The calculated magnetic moments of Fe1(coronene)1 and Fe2(coronene)1 clusters suggest that coronene 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. Fe1(coronene)2 and Fe2(coronene)2 cluster anions and their corresponding neutrals prefer the sandwich-type structures, and the ground state structures of these clusters are all staggered sandwiches.
Rights
Li, X., Eustis, S., Bowen, K. H., et al. Photoelectron spectroscopic and theoretical studies of Fem−(coronene)n (m=1,2, n=1,2) complexes. The Journal of Chemical Physics 129, 074313 (2008). Copyright © 2008 AIP Publishing LLC.
Is Part Of
VCU Physics Publications
Comments
Originally published at http://dx.doi.org/10.1063/1.2968609