Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers

Using first principles calculations, we predict a complex
multifunctional
behavior in cobalt bis­(dioxolene) valence tautomeric compounds. Molecular
spin-state switching is shown to dramatically alter electronic properties
and corresponding transport properties. This spin state dependence
has been demonstrated for technologically relevant coordination polymers
of valence tautomers as well as for novel conjugated polymers with
valence tautomeric functionalization. As a result, these materials
are proposed as promising candidates for spintronic devices that can
couple magnetic bistability with novel electrical and spin conduction
properties. Our findings pave the way to the fundamental understanding
and future design of active multifunctional organic materials for
spintronics applications.