Fig. 4
From: An isolable catenane consisting of two Möbius conjugated nanohoops
Electron delocalization evaluation of the energy minimized structures of catenane 1 and monomer 9. a The ACID plot for monomer 9. b ELF domains dissected into σ and π contributions in monomer 9. c the ELF domains in catenane 1. The vector of external magnetic field used to induce currents is parallel to the line of sight. Small green arrows are computed current density vectors. The π molecular orbitals are listed in Supplementary Table 4. Isovalues for ACID and ELF surfaces are 0.050 a.u. and 0.65 a.u., respectively
