Fig. 2: Crystal structures and photophysical properties.
From: J-aggregates of meso-[2.2]paracyclophanyl-BODIPY dye for NIR-II imaging
Ball and stick illustration of the X-ray structure of PCP-BDP1 (a) and PCP-BDP2 (b). c Molecular packing diagram of PCP-BDP2. Solvent molecules and H atoms are omitted for clarity. d Normalized absorption and emission spectra of Ph-BDP2 (black line) and PCP-BDP2 (red line) in DCM (10 μM). “abs” and “em” refer to “absorption” and “emission,” respectively. e Calculated frontier molecular orbitals for Ph-BDP1, PCP-BDP1, Ph-BDP2, and PCP-BDP2 and their orbital energies in the optimized excited state. Source data underlying (d) are provided as a Source data file.
