Vm. Hallmark et al., OBSERVATION AND CALCULATION OF INTERNAL STRUCTURE IN SCANNING-TUNNELING-MICROSCOPY IMAGES OF RELATED MOLECULES, Physical review letters, 70(24), 1993, pp. 3740-3743
The scanning tunneling microscope has been used to distinguish among a
series of related molecules on Pt(111) by details of their observed s
tructures. The electronic isomers naphthalene and azulene can be recog
nized, as can three structural isomers of monomethylazulene, as well a
s dimethyl- and trimethylazulene. The number and position of substitue
nts affect the diffusion rates, sticking coefficients, and orientation
s. A simple methodology based on extended Huckel theory, including the
substrate, generates electron and hole density plots which show very
good agreement with the data.