Fig. 7. (a) Perspective view showing CO2 positions within the geometry-optimised structure of 1lp with guest–guest interaction energies between different combinations of two CO2 molecules. (b) EDDM showing areas of enhanced (green) and depleted (blue) electron density of the geometry-optimised structure of 1lp with respect to its isolated MOF and CO2 components. The EDDM was generated for a periodic 1 × 1 × 1 unit cell and only a fragment is shown for clarity.
