Polaronic high-spin π-conjugated 1-D polymers with polymethine radicals within the elementary units

The structure and the magnetic properties of polaronic high-spin (HS) π-conjugated one-dimensional (1-D) polymers (systems) with stable polymethine radicals of Wursterʹs and Weitz types within the elementary units have been investigated theoretically. Using the band theory the nature and magnitude of the magnetic coupling between the electrons within the half-filled band (HFB) of the polymers were determined. It was shown that the electrons are ferromagnetically (FM) coupled with an effective exchange integral Jeff∼0.1 eV for polymers with Wursterʹs type radicals, and Jeff∼0.01 eV of polymers with Weitz type radicals, respectively.