Fig. 2: Structural analysis.
From: Synthesis of zwitterionic open-shell bilayer spironanographenes
a, The molecular structure of compound spiro-NG (4) obtained by SCXRD (hydrogen atoms have been omitted for clarity) (lateral view, top left; zenithal view, top right). b, The molecular structure of compound 9 obtained by SCXRD (hydrogen atoms have been omitted for clarity). c, Optimized structures and folding reactions for spiro-NG and F-spiro-NG (DFT/CAM-B3LYP-D3/6-31G** level). Interlayer distances are given in ångströms (red arrows), and twisting angles of the spirobifluorene moiety are given in degrees (green arrows).
