A combined theoretical and experimental study of the electrochemically induced chemisorption of acrylonitrile on nickel, copper, and zinc

C. Fredriksson*, R. Lazzaroni, Jean-Luc Bredas, M. Mertens, R. Jérôme

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

We report a combined theoretical and experimental study of the interaction between a series of transition metals (Ni, Cu, Zn) and acrylonitrile. We demonstrate experimentally that the transition metal has a selective role in the grafting of electropolymerized acrylonitrile. Nickel and copper substrates support the formation of a polyacrylonitrile film, while zinc does not. Quantum chemical calculations indicate that acrylonitrile molecules form π-d bonds with Ni and Cu atoms, but do not react chemically with a Zn atom, in qualitative agreement with the experiment. Computational results also show that the electron affinity is significantly increased upon chemisorption, promoting radical anion species at the metal surface as initiators for polymerization.

Original languageEnglish (US)
Pages (from-to)356-362
Number of pages7
JournalChemical Physics Letters
Volume258
Issue number3-4
DOIs
StatePublished - Aug 16 1996

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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