title: McConnell I mechanism promotes ferromagnetic interactions between π-stacked Ni(II)-thiazyl complexes.
abstract: The coordination complex of Ni(hfac)2 (hfac = 1,1,1,5,5,5-hexafluoroacetylacetonato) and the 4-(benzoxazol-2'-yl)-1,2,3,5-dithiadiazolyl (boaDTDA) neutral radical π-stacks in a one-dimensional "staircase" arrangement. This particular packing aligns regions of α and β spin densities on neighbouring Ni(II)(hfac)2(boaDTDA) molecules. This complex exemplifies a McConnell I type mechanism, giving rise to intermolecular ferromagnetic exchange observed for the first time between metal-thiazyl complexes.
authors.affiliation: Department of Chemistry, University of Guelph, Guelph, ON N1G 2W1, Canada. kpreuss@uoguelph.ca.
authors.forename: Elisabeth M
authors.initials: EM
authors.lastname: Fatila
authors.forename: Rodolphe
authors.initials: R
authors.lastname: Clérac
authors.forename: Michael
authors.initials: M
authors.lastname: Jennings
authors.forename: Kathryn E
authors.initials: KE
authors.lastname: Preuss