Figure 10
Framework interactions in BF1-molA (a, b, c) and in BF2 (d, e, f) with the electrostatic energy (red cylinders), dispersion energy (green cylinders) and total energy (blue cylinders). Yellow cylinders in (a) depict destabilizing positive interaction energies. Scale for tube/cylinder size is 80, cutoff of 8.00 kJ mol−1 used. |