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Keywords:

  • density functional calculations;
  • electron-induced reactions;
  • molecular dynamics;
  • scanning probe microscopy;
  • S[BOND]S bonds
Thumbnail image of graphical abstract

The molecular dynamics of an electron-induced reaction in a self-assembled molecular chain of four dimethyldisulfide molecules on Au(111) are studied (see figure, S[BOND]S bonds highlighted). Charge delocalization weakens all the S[BOND]S bonds causing a concurrent reaction along the entire chain (middle). All the original S[BOND]S bonds are broken and new S[BOND]S bonds form giving three altered S[BOND]S bonds and two chemisorbed thiyl radicals (bottom).