A proposal on the mechanism for spin-alignment by a conduction electron

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We proposed here a new mechanism for spin-alignment in organic p-conjugated molecules having pendant radicals. When the main chain was 1-electron reduced(or oxidized) to give a conduction electron which interact with the pendant spins to align all pendant spins parallel. In other words, these p-conjugated polyradicals have response functionality to change molecular magnetic property upon 1-electron(or hole) doping. DFT calculations for some conjugated diradicals as well as their oxidized states were performed, and energy differences between singlet-triplet states in neutral diradicals or between doublet and quartet states in ionic diradicals were calculated. The results showed the spin alignment can be achieved. We also prepared di(nitronylnitroxide)-diradicals bearing a hydroquinone(or quinine) skeleton.