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By V. Y. Veldre

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These resistances greatly exceed 32 3 Single Molecule Structural Characterization Fig. 1. 15 V and 2 nA at both a low and b high adsorption coverages. 2]) Fig. 2. Calculated molecular orbitals of a CuPc molecule corresponding to the experimental results in Fig. 1. a Structure model CuPc on a Cu(100) surface. Small open circles C, small closed circles H, large open circles Cu, large closed circles N . (b) and (c) are the distribution of charge density of HOMO and LUMO respectively at 2 above molecular plane.

28]. However, a t high CO coverage, CO molecules are likely to appear as protrusions or enhanced contrast. This was postulated as the effect of a molecularly decorated tip. With the 38 3 Single Molecule Structural Characterization Fig. 6. 25]) Fig. 7. 25]) capability of reliably transferring molecules between the tip and substrate, it was demonstrated that CO molecules, originally appearing as indentations on C u ( l l 1 ) surfaces, can be turned into protrusions with a CO-decorated tip (Figs. 30].

64]. 651. For P b P c adsorbed on hloS2, the pb2+ ion is positioned out of molecular plane due t o the large ion radius. Another non-planar phthalocvanine species is vanadyl phthalocyanine (VOPc), in which the oxygen atom is positioned outside the phthalocyanine molecular plane a t a similar distance as that of P b in PbPc. 68], in contrast t o the results on P b P c and SnPc. This was attributed t o the blocking effect of oxygen atoms that hampers the tunneling current. The accompanying spectroscopy measurements revealed an energy gap of around 2 eV (Fig.

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