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Effect of S⋯π interactions on the charge transport properties of the DPP framework
Xu Wang1, Zhonghao Hu1, Lei Liang1
1The State Key Laboratory of Refractories and Metallurgy, and Institute of Advanced Materials and Nanotechnology, Faculty of Materials, Wuhan University of Science and Technology, Wuhan 430081, China. xiaobhuai@foxmail.com.
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.
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