title: Open-shell doublet character in a hexaazatrinaphthylene trianion complex.
abstract: Three-electron reduction of hexaazatrinaphthylene (HAN) with a magnesium(I) reagent leads to [(HAN){Mg(nacnac)}3] (1), containing a [HAN](3-) ligand with a spin of S = 1/2. Ab initio calculations reveal that the [HAN](3-) ligand in 1 has a ground-state wave function with multiconfigurational properties, and can be described as a triradicaloid species with a small amount of open-shell doublet character.
authors.affiliation: School of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK. Richard.Layfield@manchester.ac.uk.
authors.forename: Jani O
authors.initials: JO
authors.lastname: Moilanen
authors.forename: Benjamin M
authors.initials: BM
authors.lastname: Day
authors.forename: Thomas
authors.initials: T
authors.lastname: Pugh
authors.forename: Richard A
authors.initials: RA
authors.lastname: Layfield