| Abstract
| - The two-dimensional (2D) self-assembled 1,3,5-tris(10-carboxydecyloxy) benzene (TCDB) networks connectedby hydrogen bonds are shown to accommodate molecules such as vanadyl phthalocyanine (VOPc) on highlyoriented pyrolytic graphite (HOPG) surfaces when examined by scanning tunneling microscopy (STM) underambient conditions. Thermally annealed adlayers were investigated with STM, which demonstrated that thermalannealing could induce a distinctive phase transition from the host−guest architecture VOPc/TCDB (II)(consisting of VOPc dimers or two VOPcs entrapped in one TCDB cavity) to the architecture VOPc/TCDB(I) (consisting of VOPc monomers or one VOPc entrapped in one TCDB cavity). On the basis of densityfunctional theory (DFT) calculations, we suggest that the transition is associated with the transformation ofthe hydrogen bond configurations in the TCDB dimers. The experimental results combined with the theoreticalcalculations revealed that monomer-entrapped VOPc/TCDB (I) is thermodynamically stable for the VOPc/TCDB complex architectures.
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