Effect of S⋯π interactions on the charge transport properties of the DPP framework

Abstract

In this work, we designed and synthesized two similar π-conjugated molecules, N-alkyl (DPP-R) and N-aryl (DPP-B), to comparatively explore the S⋯π interactions using a scanning tunneling microscopy-based break junction (STM-BJ) technique. The conductance results of the STM-BJ experiments indicated that DPP-R has a 66% greater conductance (G) than DPP-B. Combined with molecular simulations, it was demonstrated that the presence of S⋯π interactions led to a certain degree of orbital overlap of the highest occupied molecular orbital (HOMO), and created a favorable channel for electron transport in the DPP-B junction.