Fig. 2: Framework energy landscape.
From: Cooperative light-induced breathing of soft porous crystals via azobenzene buckling
a–c Framework contraction via E-Z isomerization (red squares) and ligand buckling (blue diamonds) as a function of dN-N (a), δCNNC (b) and energy (c). Unit cell volumes of (Z)-DUT-163cp (blue), DUT-163op (purple), and (E)-DUT-163cp (orange) are given as dashed vertical lines. Framework contraction via E-Z isomerization and ligand buckling are given in red circles and blue diamonds, respectively. Framework structures of (Z)-DUT-163cp (d), DUT-163op (e), and (E)-DUT-163cp (f) including the corresponding ligand structures and diaza-conformation in dashed circles. g 3D energy landscape of DUT-163 as a function of unit cell volume (VUC), δCNNC with energy normalized to the op state.
