Intramolecular London Dispersion Interactions in Single-Molecule Junctions.

ABSTRACT: This work shows the first example of using intramolecular London dispersion interactions to control molecular geometry and quantum transport in single-molecule junctions. Flexible σ-bonded molecular junctions typically occupy straight-chain geometries due to steric effects. Here, we synthesize a series of thiomethyl-terminated oligo(dimethylsilmethylene)s that bear [CH₂-Si(CH₃)₂]_n repeat units, where all backbone dihedral states are sterically equivalent. Scanning tunneling microscopy break-junction (STM-BJ) measurements and theoretical calculations indicate that in the absence of a strong steric bias concerted intramolecular London dispersion interactions staple the carbosilane backbone into coiled conformations that remain intact even as

SUBMITTER: Hight MO 

PROVIDER: S-EPMC10885141 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature