Searching the Hearts of Graphene-like Molecules for Simplicity, Sensitivity, and Logic

J Am Chem Soc. 2015 Sep 9;137(35):11425-31. doi: 10.1021/jacs.5b06558. Epub 2015 Aug 27.

Abstract

If quantum interference patterns in the hearts of polycyclic aromatic hydrocarbons could be isolated and manipulated, then a significant step toward realizing the potential of single-molecule electronics would be achieved. Here we demonstrate experimentally and theoretically that a simple, parameter-free, analytic theory of interference patterns evaluated at the mid-point of the HOMO-LUMO gap (referred to as M-functions) correctly predicts conductance ratios of molecules with pyrene, naphthalene, anthracene, anthanthrene, or azulene hearts. M-functions provide new design strategies for identifying molecules with phase-coherent logic functions and enhancing the sensitivity of molecular-scale interferometers.