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These three orientations are not equally likely. An average over 780 molecules from seven data sets acquired in different experimental runs reveals a slight preponderance of the two-lobed orientation (40%), compared to the round and thee-lobed orientations (30% each). Each species tends to occur in small irregularly shaped groups of 10-15 molecules, without any well-defined phase boundary. No correlation between the molecular orientation and the underlying features (e.g., domain boundaries) was observed, although the effects of the substrate cannot be completely ruled out in the nucleation of these islands.
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For dosing at room temperature in the experiments described here, the average island size consists of 500 - 1000 molecules. The spectra are independent of the island size if they are measured over molecules that are not lying on the island boundaries or on top of the oxide domain boundaries. All the data presented here are for molecules adsorbed on the oxide terraces and in the island interior.
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1u level vary widely, although ref 21 reports an actual measurement of this splitting. The level splitting in our case is expected to be near the lower bound because of the minimal distortion of the molecule and the transient nature of the anion.
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