engleski

Cooperativity from electrostatic interactions: understanding bistability in molecular crystals

A general model for explaining bistability in crystals of donor–acceptor (DA) molecules, associated with an intramolecular charge- transfer process, is thoroughly discussed. Specifically, an extension from the two- to the three-essential states model for D-bridge-A molecular units taking into account the active role of the bridge states in the charge- transfer process is proposed. We demonstrate that the phenomenon of bistability is so robust that it survives when such an extended model is adopted. Finally, we discuss the molecular and supramolecular requirements for the observation of bistability phenomena in molecular crystals.

donor–acceptor molecules ; charge-transfer ; molecular crystal ; bistability

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