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. 2022 Nov 10;13(46):10688–10696. doi: 10.1021/acs.jpclett.2c02721

Figure 5.

Figure 5

KRM-derived dimer geometries with unequal length linkers are shown in pairs as mirror images: BshortCmed/CmedBshort and BshortClong/BlongCshort. The left schematic defines the geometric parameters of the alignment between TDMs 1 and 2 in each dimer: a center-to-center distance R in Å, slip angles θ1° and θ2°, and an oblique angle α°. Note that the fitting procedure determines the position and orientation of TDM that aligns with the long axes of the squaraine dye but not the rotation of the dye core around its long axis. As such, the dye core rotations were arbitrarily chosen.