Design of ferromagnetic polymers involving organosilicon moieties

Polaronic ferromagnetic polymers consisting of the spin supplier block (SSB) and the spacer have been designed based on the unrestricted Hartree-Fock (UHF) crystal orbital (CO) method. The π-conjugated thienylene unit was employed as the SSB and the silylene or ethylene group with sp3-hybridized orbitals was taken as the spacer. Several kinds of combinations of these ‘parts’ were examined for the choice toward promising ferromagnetic polymers.