@article{20221,
  abstract     = {We describe the design, synthesis, and single-molecule junction conductance of π-electron molecules bearing both radial and linear π-conjugation pathways, whereby cycloparaphenylene (CPP) radial cores are π-extended linearly with aryl alkyne substituents as models for previously reported CPP-arylene ethynylene conjugated polymers. Although radially and linearly conjugated molecules have been studied previously in isolation as junction-bridging molecular electronic units, this is the first study to examine molecules where both topologies are operative. Our results reveal that the presence of radial CPP components within the junction-spanning pathway leads to a reduction in the conductance of the backbone compared to model linear phenyl substituents. Through tight-binding and DFT-based calculations, we attribute this conductance change to intramolecular van der Waals (vdW) interactions between the CPP ring and the junction-spanning arylene-ethynylene molecular backbone. These interactions induce changes in the dihedral angles of the backbone, leading to a reduced overlap of π orbitals within the molecular junction.},
  author       = {Shi, Wanzhuo and Wang, Mengjiao and Venkataraman, Latha and Tovar, John D.},
  issn         = {1530-6992},
  journal      = {Nano Letters},
  number       = {31},
  pages        = {12101--12106},
  publisher    = {American Chemical Society},
  title        = {{Single-molecule conductance through hybrid radially and linearly π-conjugated macromolecules reveals an unusual intramolecular π-interaction}},
  doi          = {10.1021/acs.nanolett.5c03693},
  volume       = {25},
  year         = {2025},
}