title: Crystallography and magnetism of two 1-(4-nitroxylphenyl)pyrroles.
abstract: Stable radicals 1-(4-(N-tert-butyl-N-aminoxyl)phenyl)pyrrole (BNPP) and 1-(4-(N-[para-methoxyphenyl]-N-aminoxyl)phenyl)pyrrole (MNPP) were synthesized and characterized by crystallography and magnetism. BNPP crystals exhibit 1-D chains of intermolecular nitroxide NO to nitroxide CH3 contacts, but polycrystalline magnetic susceptibility measurements show quite small antiferromagnetic (AFM) exchange interactions. MNPP shows stronger AFM exchange interactions that appear to be associated with a 2-D planar mesh of crystallographic nitroxide to nitroxide (N)O...N(O) contacts of 4.0-4.2 A. The AFM behavior of MNPP can be fitted to a 2-D square planar Heisenberg antiferromagnetic exchange model with J/k = (-)0.78 +/- 0.04 K and mean field constant theta = (-)0.77 +/- 0.12 K.
authors.affiliation: Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003, USA.
authors.forename: Zeynep
authors.initials: Z
authors.lastname: Delen
authors.forename: Paul M
authors.initials: PM
authors.lastname: Lahti