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Bonding and ordering of decacyclene molecules on Cu(110) studied by scanning tunneling microscopy
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27.The diameter of the molecule was determined as the center–center distance between DC molecules in a close-packed structure, while the molecular diameter in the gas-phase model represents the core–core distance between the most remote DC hydrogen atoms plus the van der Waals diameter of a hydrogen atom. The experimental data are, therefore, expected to overestimate the diameter relative to the gas-phase model.
28.It may be speculated if this correlates with the quasi mirror-symmetric conformation of the DC molecules known from the gas phase [Fig. 1(B)]. We must, however, keep in mind that the strong interaction with the substrate may have an important influence on adsorption geometries. An assignment to one of the presented gas-phase conformations would, therefore, be generally questionable.
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32.In the model the center benzene ring of the DC molecules is assumed to be located on top of fourfold hollow sites in agreement with the position on top of the troughs in between close-packed Cu rows.
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