Fig. 4: Photoabsorption properties. | Nature Communications

Fig. 4: Photoabsorption properties.

From: Doubly linked chiral phenanthrene oligomers for homogeneously π-extended helicenes with large effective conjugation length

Fig. 4

a UV–vis–NIR absorption and circular dichroism (CD) spectra of 1 (black), 2 (blue), and 3 (red) in toluene at 25 °C. In the CD spectra, the solid and dashed lines represent the (P)- and (M)-isomers, respectively. b Excitation energies for the lowest energy (S0 → S1) transition of helicenes (black square), π-extended helicenes (red circle), and rylenes (blue triangle) calculated at the TD-RB3LYP/6-311G(2d,p) level of theory. c Orbital correlation diagram of 1−3 calculated at the TD-RB3LYP/6-311G(2d,p) level of theory.

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