Abstract
We present a theoretical study on optically controlled spin alignment in purely organic molecules. A quantum electron-spin model is applied to simulate molecular systems, in which localized spin densities on radical groups are coupled with a $\ensuremath{\pi}$-conjugated moiety through exchange interactions. We numerically solve the model up to highly excited states including all the correlation effects. It is demonstrated in the anthracene-based molecules that the lowest triplet of $\ensuremath{\pi}$ moiety plays the role of ferromagnetic coupler for the localized spins. A metastable high-spin state can be generated by photoexcitation and subsequent relaxation processes. It is further clarified in the biphenyl-based molecules that such spin alignment depends sensitively on the molecular geometry and the strength of the exchange interactions. Our study offers a theoretical basis for understanding photoinduced high-spin states observed in $\ensuremath{\pi}$-conjugated molecular systems.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call