Fig. 4: Molecular properties of O7H, O8H, O9H, OO7H, OO8H, and OO9H.
From: Oxidative cyclo-rearrangement of helicenes into chiral nanographenes
a, b Local aromaticity evaluation studied by harmonic oscillator model of aromaticity (HOMA) from the crystal structures (shown in thermal ellipsoid with a 30% probability) and nucleus-independent chemical shifts, NICS(0) from theoretical calculations. c UV-vis absorption (bottom) and electronic circular dichroism (ECD) (top) spectra of benzo[ghi]perylene (BP), O7H, O8H, and O9H (in CH2Cl2, c = 2.0 × 10−5 mol L−1). Calculated excitation energies and oscillator/rotatory strengths (velocity form) are displayed as sticks (the first 10 excitations). d Fluorescence (bottom) and circularly polarized luminescence (CPL) (top) spectra of benzo[ghi]perylene, O7H, O8H, and O9H (in CH2Cl2, c = 2.0 × 10−5 mol L−1). e Photographs of corresponding solutions in CH2Cl2 recorded under ambient light (top) and irradiation at 365 nm (bottom). f Cyclic voltammograms for O7H, O8H, and O9H (in CH2Cl2, containing 0.2 mol L−1 of n-Bu4NPF6, scan rate = 0.1 mV s−1).
