1,2,3-Dithiazolyl and 1,2,35-Dithiadiazolyl Radicals as Spin-Bearing ...

Considerations have been put toward the development of a compound analogous to
V-1 which has a nitrogen atom in the place of the chlorine-bearing carbon atom (V-7).
This would remove the possibility of a carbon-carbon bond destroying the radical to form
V-7
V-8
trinuclear generic coordination complex of V-7 to metal ions with
ancillary hfac ligands.
a diamagnetic dimer. In addition to the bidentate chelation pocket in both V-1 and V-7,
this would also provide the possibility of a third monodentate coordination site which
could potentially link mononuclear units into a polymeric chain or lead to the formation
of a trinuclear species such as V-8. Since there is a significant SOMO coefficient on the
monodentate nitrogen atom, this means that if the interaction between the metal
coordinated to the bidentate pocket were for example AFM, then the coupling between
the monodentate nitrogen atom the central metal ion would also be AFM, resulting in the
spin vectors for each of the metal ions being aligned in the same direction. If this were
achieved with manganese for example, with ancillary hfac ligands it is likely that this
coupling pattern would be observed and provide a trinuclear material with a ground state
S = 13/2.
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