Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.271, 115-122, 1995
Magnetic-Interactions in the Crystals of Alpha-Phases and Beta-Phases of 2-Hydro Nitronyl Nitroxide and Related-Compounds
Magnetic properties and crystal structures of alpha- and beta-2-hydro nitronyl nitroxide radicals (2-hydro-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazaol-1-oxyl 3-oxide) were investigated. Exchange couplings in both phases were estimated from tile paramagnetic susceptibility (1.8-300 K) and magnetization (up to 400 kOe) measurements. Assignment of the couplings to molecular packings has been carried out. Close spacing between the ONCNO moieties yields various magnitude of exchange couplings from 0 to ca.-30 K. In alpha-phase crystal, short contacts between the central carbon atoms with negative spin density and the NO groups with positive spin density were observed. However, this packing is assigned to an antiferromagnetic exchange coupling, J/k(B) = -11 K (H = -2JS(1) . S-2). This case suggests that care must be taken when we refer to McConnell’s proposal.