| Abstract
| - Two-dimensional (2D) self-assembled 1,3,5-tris(10-carboxydecyloxy) benzene (TCDB) networks connectedby hydrogen bonds on highly oriented pyrolytic graphite (HOPG) surfaces are shown to accommodate avariety of unsubstituted metallophthalocyanine (MPc) molecules (such as H2Pc, CuPc, VOPc, and ClGaPc)and halogen-substituted MPcs (such as F16CuPc), which have been observed by scanning tunneling microscopy(STM) under ambient conditions. Two types of dramatically different host−guest architectures are identifiedfor each MPc/TCDB systems, that is, the architecture MPc/TCDB (I) (with MPc monomers entrapped in theTCDB cavities) and the architecture MPc/TCDB (II) (with MPc dimers entrapped in the TCDB cavities).The intermolecular interactions are calculated by density functional theory (DFT), which demonstrates thatthe host−guest intermolecular interactions (including van der Waals forces and electrostatic interactions causedby asymmetrical electronic distribution of MPcs) are important in determining the on-and-off of hydrogenbonds in the host lattice. The STM study combined with the DFT calculations reveal that the hydrogen bondswitching through O−H···O bonds is responsible for the formation of TCDB cavities with multiple flexibilityfor guest molecule inclusion.
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