title: Voltage clustering in redox-active ligand complexes: mitigating electronic communication through choice of metal ion.
abstract: The redox-active bis(imino)acenapthene (BIAN) ligand was used to synthesize homoleptic aluminum, chromium, and gallium complexes of the general formula (BIAN)3M. The resulting compounds were characterized using X-ray crystallography, NMR, EPR, magnetic susceptibility and cyclic voltammetry measurements and modeled using both DFT and ab initio wavefunction calculations to compare the orbital contributions of main group elements and transition metals in ligand-based redox events. Complexes of this type have the potential to improve the energy density and electrolyte stability of grid-scale energy storage technologies, such as redox flow batteries, through thermodynamically-clustered redox events.
authors.affiliation: Sandia National Laboratories, P.O. Box 969 MS 9292, Livermore, CA 94551, USA. mianstey@davidson.edu.
authors.forename: Ryan A
authors.initials: RA
authors.lastname: Zarkesh
authors.affiliation: Department of Chemistry & Biochemistry, San Francisco State University, 1600 Holloway Avenue, San Francisco, CA 94132, USA.
authors.forename: Andrew S
authors.initials: AS
authors.lastname: Ichimura
authors.affiliation: Sandia National Laboratories, P.O. Box 5800 MS 1415, Albuquerque, NM 87185-0614, USA.
authors.forename: Todd C
authors.initials: TC
authors.lastname: Monson
authors.affiliation: Department of Chemistry, University of Pennsylvania, 231 S. 34th St., Philadelphia, PA 19104-6323, USA. tomson@sas.upenn.edu.
authors.forename: Neil C
authors.initials: NC
authors.lastname: Tomson
authors.affiliation: Sandia National Laboratories, P.O. Box 969 MS 9292, Livermore, CA 94551, USA. mianstey@davidson.edu and Department of Chemistry, Davidson College, 209 Ridge Road, Davidson, NC 28035, USA.
authors.forename: Mitchell R
authors.initials: MR
authors.lastname: Anstey