Original Publication Date
The Journal of Chemical Physics
DOI of Original Publication
Date of Submission
Anion photoelectron spectroscopic experiments and density functional theory based calculations have been used to investigate the structural, electronic, and magnetic properties of neutral and anionic [Com(pyrene)n] (m,n=1–2) complexes. The calculated electron affinities and vertical transition energies of Com(pyrene)n are in good agreement with the measured values. Our results provide clear evidence for dimerization of Co atoms and formation of sandwich structures in these complexes. While the calculated spin magnetic moments of neutral Co2(pyrene)n complexes suggest a preference for ferromagnetic coupling between Co atoms, the spin magnetic moment of Co atom in Co(pyrene) and Co(pyrene)2 complexes was reduced to 1μB.
Kandalam, A. K., Jena, P., Li, X., et al. Photoelectron spectroscopy and theoretical studies of [Com(pyrene)n]− (m=1,2 and n=1,2) complexes. The Journal of Chemical Physics 129, 134308 (2008). Copyright © 2008 AIP Publishing LLC.
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VCU Physics Publications