---
res:
  bibo_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.@eng
  bibo_authorlist:
  - foaf_Person:
      foaf_givenName: Wanzhuo
      foaf_name: Shi, Wanzhuo
      foaf_surname: Shi
      foaf_workInfoHomepage: http://www.librecat.org/personId=a3010425-87c8-11f0-8106-bec32bea74da
  - foaf_Person:
      foaf_givenName: Mengjiao
      foaf_name: Wang, Mengjiao
      foaf_surname: Wang
  - foaf_Person:
      foaf_givenName: Latha
      foaf_name: Venkataraman, Latha
      foaf_surname: Venkataraman
      foaf_workInfoHomepage: http://www.librecat.org/personId=9ebb78a5-cc0d-11ee-8322-fae086a32caf
    orcid: 0000-0002-6957-6089
  - foaf_Person:
      foaf_givenName: John D.
      foaf_name: Tovar, John D.
      foaf_surname: Tovar
  bibo_doi: 10.1021/acs.nanolett.5c03693
  bibo_issue: '31'
  bibo_volume: 25
  dct_date: 2025^xs_gYear
  dct_identifier:
  - UT:001537145800001
  dct_isPartOf:
  - http://id.crossref.org/issn/1530-6992
  dct_language: eng
  dct_publisher: American Chemical Society@
  dct_title: Single-molecule conductance through hybrid radially and linearly π-conjugated
    macromolecules reveals an unusual intramolecular π-interaction@
  fabio_hasPubmedId: '40707400'
...