Fig. 2: Photophysical properties and theoretical calculation of perylene derivatives. | Nature Communications

Fig. 2: Photophysical properties and theoretical calculation of perylene derivatives.

From: Red light-driven electron sacrificial agents-free photoreduction of inert aryl halides via triplet-triplet annihilation

Fig. 2

a Normalized UV-vis absorption (abs) and fluorescence emission (em) spectra of Py1-Py4 in toluene. b The optimized ground state conformations of Py1 and Py3 via DFT//B3LYP/6-31 G; c Electron density maps of the frontier molecular orbitals of Py1 and Py3; d Spin density surfaces of Py1 and Py3 in toluene at the optimized triplet state geometries.

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