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Related Experiment Video

Updated: Jan 19, 2026

Measurement of Quantum Interference in a Silicon Ring Resonator Photon Source
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Permethylation Introduces Destructive Quantum Interference in Saturated Silanes.

Marc H Garner1, Haixing Li2, Madhav Neupane3

  • 1Nano-Science Center and Department of Chemistry , University of Copenhagen , Universitetsparken 5, 2100 Copenhagen Ø , Denmark.

Journal of the American Chemical Society
|September 11, 2019
PubMed
Summary

Methyl groups are key to destructive quantum interference in silane conductance. This interference, absent in simple alkanes, is observed in permethylated alkanes, revealing substituent effects on molecular electronics.

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Area of Science:

  • Molecular electronics
  • Quantum chemistry
  • Organic chemistry

Background:

  • Single-molecule conductance in silanes is suppressed by destructive quantum interference.
  • This interference, linked to cisoid dihedral angles, is not observed in structurally similar alkanes.

Purpose of the Study:

  • To investigate the role of methyl substituents in σ-interference effects in silanes and alkanes.
  • To understand the impact of substituents on electron transport properties in saturated molecules.

Main Methods:

  • Density functional theory (DFT) calculations to model electron transport.
  • Scanning tunneling microscope break-junction (STM-BJ) experiments to measure single-molecule conductance.

Main Results:

  • Methyl substituents are essential for observing σ-interference in silanes.
  • Nonmethylated silanes and simple alkanes do not exhibit the same level of destructive interference.
  • Permethylated cyclic and bicyclic alkanes show significantly suppressed conductance.
  • Functionalized cyclohexane and bicyclo[2.2.2]octane exhibit higher conductance than permethylated silanes.

Conclusions:

  • The difference in electron transport between alkanes and silanes is primarily due to methyl substituents, not the backbone atoms (C vs. Si).
  • Chemical substituents critically influence single-molecule conductance in saturated organic molecules.
  • Consideration of substituents is vital for designing molecules with specific electronic properties.