Open Access. Powered by Scholars. Published by Universities.®
DENSITY-FUNCTIONAL THEORY; METAL-FULLERENE CLUSTERS; BENZENE COMPLEXES; CATION COMPLEXES; ORGANOMETALLIC CLUSTERS; ELECTRONIC-STRUCTURE; IONIZATION ENERGIES; SANDWICH CLUSTERS; CHARGE-TRANSFER; PHOTODISSOCIATION
Articles 1 - 1 of 1
Full-Text Articles in Physics
Photoelectron Spectroscopic Study Of Iron-Pyrene Cluster Anions, Xiang Li, Kit H. Bowen Jr., Puru Jena, Anil K. Kandalam
Photoelectron Spectroscopic Study Of Iron-Pyrene Cluster Anions, Xiang Li, Kit H. Bowen Jr., Puru Jena, Anil K. Kandalam
Physics Publications
Iron-pyrene cluster anions, [Fem(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 …