Figure 3
Crystal structures of dye@In-BTB, interactions between dyes and frameworks, and symmetries of dyes. (a) Rh6G cation, (b) NBA cation, (c) AOG cation, (d) CV cation, (e) DEOCy cation, and (f) DMMP cation. Encapsulated dye cations are shown with a CPK model, and the 2-fold interpenetrated frameworks are displayed with a stick model using different colors: blue and green. Three partially occupied dye molecules placed in different layers with C3 symmetry are represented by different colors. All hydrogen atoms were removed for clarity. Electrostatic interactions between partially occupied dye cations (green bonds) are displayed as black dotted lines. A cationic nitrogen atom and the anionic part of the framework are shown as a blue sphere and black bonds, respectively. Hydrogen bonds (black dotted lines) between the carboxylate O atoms (red) and partially occupied dye N(blue)-H are shown. The π-π interactions between NBA (red dotted lines) are shown.
