Optical Effect of Varying Acceptors in Pyrene Donor-Acceptor-Donor Chromophores.

Three donor-acceptor-donor (D-A-D) pyrene chromophores are described and compared by DFT computations. The two properties of low energy photon absorption and low energy electrochemical reduction are demonstrated through a pyrene framework. Altering the electron-acceptor strength of the pyrene core by chemical oxidation or installation of a thiadiazole dioxide heterocycle results in the formation of D-A-D chromophores with absorption bands up to 900 nm and LUMO energy levels of approximately -4.1 eV vs. vacuum. [ABSTRACT FROM AUTHOR]