Fig. 1. (A) P and M enantiomers of the iron cylinder [Fe2L3]4+ optimized by DFT. (B) Distribution of partial charges for P enantiomer as calculated by ssb-d-D3/Def2-SVP level of DFT theory, visualized by VMD, and also showing approximate cylinder size. (C) Surface of the RNA 3-way junction cavity stabilized by the M enantiomer of the cylinder from the crystal structure pdb 4JIY.43 (D) Stacking of RNA bases to the cylinder in the centre of the 3-way junction in pdb 4JIY.43 Analogous stacking is also seen with cylinders located at the terminal base pairs of the strands (see ESI part B‡). Hydrogen are omitted for clarity in A, C and D.
