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Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds
Published on: October 18, 2018
Photoelectron spectroscopy and theoretical studies of [Co(m)(pyrene)(n)]- (m = 1,2 and n = 1,2) complexes
Anil K Kandalam1, Puru Jena, Xiang Li
1Department of Physics, McNeese State University, Lake Charles, Louisiana 70609, USA. akandalam@mcneese.edu
Abstract:
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 [Co(m)(pyrene)(n)] (m,n=1-2) complexes. The calculated electron affinities and vertical transition energies of Co(m)(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 Co(2)(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 1mu(B).
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