Fig. 2: Characterization and property of the cocrystal. | Nature Communications

Fig. 2: Characterization and property of the cocrystal.

From: Characterization of A π–π stacking cocrystal of 4-nitrophthalonitrile directed toward application in photocatalysis

Fig. 2

a Packing structure of the cocrystal of 4-nitrophthalonitrile and 1,3,5-trimethoxybenzene. b The UV-Vis absorption spectra of 4-nitrophthalonitrile, 1,3,5-trimethoxybenzene and their cocrystal. c DFT calculation on the HOMO and LUMO orbitals of the crystal structure. d DFT calculation on the electron-hole distribution of single complex in crystal structure. e EPR monitoring experiments of the cocrystal and solution of 4-nitrophthalonitrile and 1,3,5-trimethoxybenzene in the absence or presence of 390 nm light.

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