Thermal selectivity of intermolecular versus intramolecular reactions on surfaces

Nat Commun. 2016 Mar 11:7:11002. doi: 10.1038/ncomms11002.

Abstract

On-surface synthesis is a promising strategy for engineering heteroatomic covalent nanoarchitectures with prospects in electronics, optoelectronics and photovoltaics. Here we report the thermal tunability of reaction pathways of a molecular precursor in order to select intramolecular versus intermolecular reactions, yielding monomeric or polymeric phthalocyanine derivatives, respectively. Deposition of tetra-aza-porphyrin species bearing ethyl termini on Au(111) held at room temperature results in a close-packed assembly. Upon annealing from room temperature to 275 °C, the molecular precursors undergo a series of covalent reactions via their ethyl termini, giving rise to phthalocyanine tapes. However, deposition of the tetra-aza-porphyrin derivatives on Au(111) held at 300 °C results in the formation and self-assembly of monomeric phthalocyanines. A systematic scanning tunnelling microscopy study of reaction intermediates, combined with density functional calculations, suggests a [2+2] cycloaddition as responsible for the initial linkage between molecular precursors, whereas the monomeric reaction is rationalized as an electrocyclic ring closure.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cycloaddition Reaction
  • Electronics*
  • Gold / chemistry*
  • Indoles / chemistry*
  • Isoindoles
  • Microscopy, Scanning Tunneling
  • Nanotechnology / methods*
  • Porphyrins / chemistry*
  • Quantum Theory
  • Surface Properties
  • Temperature

Substances

  • Indoles
  • Isoindoles
  • Porphyrins
  • Gold
  • phthalocyanine