Products Cited in Publications Worldwide Destructive quantum interference in heterocyclic alkanes: the search for ultra-short molecular insulators

Destructive quantum interference in heterocyclic alkanes: the search for ultra-short molecular insulators

Zhang, Boyuan; Garner, Marc H.; Li, Liang; Campos, Luis M.; Solomon, Gemma C.; Venkataraman, Latha

DOI: PMID:

Abstract

Designing highly insulating sub-nanometer mols. is difficult because tunneling conductance increases exponentially with decreasing mol. length. This challenge is further enhanced by the fact that most mols. cannot achieve full conductance suppression with destructive quantum interference. Here, we present results for a series of small saturated heterocyclic alkanes where we show that conductance is suppressed due to destructive interference. Using the STM-BJ technique and d. functional theory calculations, we confirm that their single-mol. junction conductance is lower than analogous alkanes of similar length. We rationalize the suppression of conductance in the junctions through anal. of the computed ballistic c.d. We find there are highly sym. ring currents, which reverse direction at the antiresonance in the Landauer transmission near the Fermi energy. This pattern has not been seen in earlier studies of larger bicyclic systems exhibiting interference effects and constitutes clear-cut evidence of destructive σ-interference. The finding of heterocyclic alkanes with destructive quantum interference charts a pathway for chem. design of short mol. insulators using organic mols.

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