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Fullerenes have attracted interest for their possible applications in variouselectronic, biological, and optoelectronic devices. However, for efficient usein such devices, a suitable anchoring group has to be employed that formswell-defined and stable contacts with the electrodes. In this work, we proposea novel fullerene tetramalonate derivate functionalized with trans-14,5-diazafluorene anchoring groups. The conductance of single-moleculejunctions, investigated in two different setups with the mechanicallycontrolled break junction technique, reveals the formation of molecularjunctions at three conductance levels. We attribute the conductance peaks tothree binding modes of the anchoring groups to the gold electrodes. Densityfunctional theory calculations confirm the existence of multiple bindingconfigurations and calculated transmission functions are consistent withexperimentally determined conductance values.

Charge transport through a single molecule of trans-1-bis-diazofluorene [60]fullerene