Structure transformation from Sierpiński triangles to chains assisted by gas molecules

Reversible transformations between fractals and periodic structures are of fundamental importance for understanding the formation mechanism of fractals. Currently, it is still a challenge to controllably achieve such a transformation. We investigate the effect of CO and CO(2) molecules on Sierpiński triangles (STs) assembled from Fe atoms and 4,4″-dicyano-1,1′:3′,1″-terphenyl (C3PC) molecules on Au surfaces. Using scanning tunneling microscopy, we discover that the gas molecules induce a transition from STs into 1D chains. Based on density functional theory modeling, we propose that the atomistic mechanism involves the transformation of a stable 3-fold coordination Fe(C3PC)(3) motif to Fe(C3PC)(4) with an axially bonded CO molecule. CO(2) causes the structural transformation through a molecular catassembly process.