Photoswitching of the magnetic properties of one-dimensional π-electron systems

Abstract

The change of the magnetic properties of the isomeric forms of photoresponsive model polymers with photochromic diarylethene elementary units substituted with radical centers are investigated theoretically. The band theory is used to calculate the effective exchange integral of the photoisomeric one-dimensional many-electron π-systems. It is shown that the magnetic properties can be reversibly switched from ferromagnetic to non-magnetic in some cases. In other cases the magnitude of the ferromagnetic exchange interaction is either increased or decreased in the photoisomers. The practicability of the photocyclization is estimated using reactivity indices in the excited state calculated in π-electron approximation with the HMO method. In most cases a reversible photocyclization (ring opening) should be possible.