Figure 3: Electron counting protocols for effective detachment of ligands from inner Au core.

There are four cases for Au atom bonded with (a) gold–thiolate staple motifs, (b) SR, (c) X (X=F, Cl, Br and I) and (d) PR3 functional groups; (e) effective separation of an Au atom shared by two elementary blocks. The blue arrow denotes charge transfer. Colour code: Au—magenta (bottom flavour), dark yellow (middle flavour) and yellow (top flavour); S—dark green; X—light green; P—wine. The R groups are omitted for clarity.